Llamole collection
Collection
A collection of related resources for the Llamole model in MLLM molecular design. • 10 items • Updated • 2
molecule stringlengths 1 2.01k | inchikey stringlengths 14 14 | description stringlengths 10 10k | standardized_molecule stringlengths 1 1.67k |
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C[C@H1]1[C@H1](O[C@](CC1=C)([C@@H1](C(=O)N[C@@H1]2[C@@H1]3[C@@H1]([C@H1](C(C(O3)C[C@@H1](CO)OC)(C)C)OC)OCO2)O)OC)C | AAABMNXUOFPYQK | The molecule is an organic heterobicyclic compound and an oxacycle. The molecule is a natural product found in Mycale with data available. | C=C1C[C@](OC)([C@H](O)C(=O)N[C@H]2OCO[C@H]3[C@@H]2OC(C[C@@H](CO)OC)C(C)(C)[C@@H]3OC)O[C@H](C)[C@@H]1C |
CC(=CC(=O)O[C@H1]1C(=C)[C@@H1]2CC[C@@]3([C@]1(C2)CC[C@H1]4[C@]3(CCC[C@@]4(C)C(=O)O)C)O)C | AAACJXBPRRVSAV | The molecule is a natural product found in Ichthyothere terminalis with data available. | C=C1[C@@H]2CC[C@]3(O)[C@@](CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]43C)(C2)[C@H]1OC(=O)C=C(C)C |
C([C@@H1]1[C@H1]([C@H1](C(O1)OP(=O)([O-1])[O-1])O)O)OP(=O)([O-1])[O-1] | AAAFZMYJJHWUPN | The molecule is an organophosphate oxoanion arising from deprotonation of the phosphate OH groups of D-ribose 1,5-diphosphate; major species at pH 7.3. It is a conjugate base of a D-ribose 1,5-bisphosphate. The molecule is a D-ribose 1,5-diphosphate in which the anomeric centre has alpha-configuration. It is a conjugat... | O=P([O-])([O-])OC[C@H]1OC(OP(=O)([O-])[O-])[C@H](O)[C@@H]1O |
C[C@H1]1[C@H1](C2=C(C3=C(C(=CC(=C3)O)OC)C(=C2CO1)O)C4=C5[C@@H1]([C@@H1](OCC5=C(C6=C4C=C(C=C6OC)OC)O)C)O)O | AAAGKEAEOHPDBS | The molecule is a natural product found in Cordyceps with data available. | COc1cc(OC)c2c(O)c3c(c(-c4c5c(c(O)c6c(OC)cc(O)cc46)CO[C@@H](C)[C@H]5O)c2c1)[C@H](O)[C@H](C)OC3 |
C[C@H1]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3CC3)O[C@H1]1CN(C)C(=O)NC4=CC=C(C=C4)F)[C@H1](C)CO | AAAGYPLVPQGIIN | The molecule is a member of ureas. The molecule is a member of ureas. The molecule is a member of ureas. | C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Nc2ccc(F)cc2)Oc2c(NC(=O)C3CC3)cccc2C1=O |
CCCCCCCCCCCCCCCOC(=O)C | AAAIZLQILBFRTJ | The molecule is a carboxylic ester. | CCCCCCCCCCCCCCCOC(C)=O |
CC(C=CC=C(C)C)C1(CC=C2C1(CCC3(C2CCC4C3(CCC(C4(C)C)O)C)O)C)C | AAAKMEGSCBCTHX | The molecule is a natural product found in Garcinia hombroniana and Garcinia celebica with data available. The molecule is a natural product found in Garcinia hombroniana and Garcinia celebica with data available. | CC(C)=CC=CC(C)C1(C)CC=C2C3CCC4C(C)(C)C(O)CCC4(C)C3(O)CCC21C |
CC(C)CC(=O)O[C@H1]1[C@H1]2[C@H1](C[C@@H1]([C@@]2(COC(=O)C)O)O)C(=CO1)CO[C@H1]3[C@@H1]([C@H1]([C@@H1]([C@H1](O3)CO)O)O)OC(=O)/C=C/C4=CC=C(C=C4)O | AAALJWLFINEDCQ | The molecule is a natural product found in Viburnum ayavacense and Viburnum tinus with data available. The molecule is a natural product found in Viburnum ayavacense and Viburnum tinus with data available. | CC(=O)OC[C@]1(O)[C@H]2[C@H](OC(=O)CC(C)C)OC=C(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3OC(=O)/C=C/c3ccc(O)cc3)[C@H]2C[C@@H]1O |
C[C@H1]/1C/C=C/[C@H1]2[C@@H1](C(=C([C@@H1]3[C@@]2(C(=O)/C=C/C(=O)[C@@H1](/C(=C1)/C)OC(=O)C)C(=O)N[C@H1]3CC4=CNC5=CC=CC=C54)C)C)O | AAALKTDFGJLPNH | The molecule is a natural product found in Acremonium with data available. The molecule is a natural product found in Chaetomium globosum with data available. | CC(=O)O[C@H]1C(=O)/C=C/C(=O)[C@@]23C(=O)N[C@@H](Cc4c[nH]c5ccccc45)[C@@H]2C(C)=C(C)[C@@H](O)[C@@H]3/C=C/C[C@H](C)/C=C\1C |
C1=CC=C(C=C1)NC2=C(C=C3C(=C2)C(=O)NC3=O)NC4=CC=CC=C4 | AAALVYBICLMAMA | The molecule is phthalimide substituted at the 4- and 5-positions by anilino groups. It has a role as a tyrosine kinase inhibitor and a geroprotector. | O=C1NC(=O)c2cc(Nc3ccccc3)c(Nc3ccccc3)cc21 |
CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(C=CC(=C3O2)O)O)OC)C | AAANZTDKTFGJLZ | The molecule is a member of xanthones. The molecule is a natural product found in Garcinia dulcis and Garcinia mangostana with data available. | COc1cc2oc3c(O)ccc(O)c3c(=O)c2c(O)c1CC=C(C)C |
CC1=CC(=C(C=C1OC)[C@]2(CO2)COC(=O)C)OC(C)(C)C | AAAOYRYYYQBEKQ | The molecule is a natural product found in Mikania luetzelburgii with data available. | COc1cc([C@@]2(COC(C)=O)CO2)c(OC(C)(C)C)cc1C |
CCNC(=O)C[C@H1]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C | AAAQFGUYHFJNHI | The molecule is a benzodiazepine. The molecule is a small molecule inhibitor of the BET (Bromodomain and Extra-Terminal) family of bromodomain-containing proteins with potential antineoplastic activity. Upon administration, molibresib binds to the acetylated lysine recognition motifs on the bromodomain of BET proteins,... | CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21 |
COC1=C(C2=C(C=C1)[C@H1]3[C@@H1](CO2)C4=CC(=C(C(=C4O3)OC)OC)O)OC | AAAQSJHHXMDZCO | The molecule is a natural product found in Swartzia laevicarpa with data available. | COc1ccc2c(c1OC)OC[C@H]1c3cc(O)c(OC)c(OC)c3O[C@@H]21 |
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3OC)OC)O)OC | AAASNKNLMQBKFV | The molecule is a tetramethoxyflavone that is the 5,7,3',4'-tetramethy-derivative of quercetin. It has a role as a plant metabolite. It is a tetramethoxyflavone and a member of flavonols. It is functionally related to a quercetin. | COc1cc(OC)c2c(=O)c(O)c(-c3ccc(OC)c(OC)c3)oc2c1 |
CC(C)[C@H1](C1=C(C(=C2C3=C1O[C@]4([C@@H1]([C@@H1]3CC(O2)(C)C)C(C(=O)C4(C)C)(C)C)O)C(=O)C(C)C)O)C5=C(C(C(=O)C(C5=O)(C)C)(C)C)O | AAAZHHFCYMSXNC | The molecule is a natural product found in Myrtus communis with data available. | CC(C)C(=O)c1c(O)c([C@H](C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)C(C)C)c2c3c1OC(C)(C)C[C@H]3[C@H]1C(C)(C)C(=O)C(C)(C)[C@@]1(O)O2 |
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCCCC1=CC2=C(C=C1)OC(=C2)C3=CC4=C(C=C3)OCO4 | AABHSZUTAUSICN | The molecule is a natural product found in Styrax agrestis with data available. The molecule is a natural product found in Styrax agrestis with data available. | CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCCCc1ccc2oc(-c3ccc4c(c3)OCO4)cc2c1 |
CSCC[C@@H1](C(=O)O)NC(=O)[C@H1](CO)NC(=O)[C@H1](CO)N | AABIBDJHSKIMJK | The molecule is a peptide. | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CO)C(=O)O |
C/C=C(/C)\C(=O)O[C@H1]1CC[N+1]2([C@@H1]1C(=CC2)COC(=O)[C@@]([C@H1](C)OC)(C(C)(C)O)O)[O-1] | AABILZKQMVKFHP | The molecule is a natural product found in Heliotropium hirsutissimum and Heliotropium ellipticum with data available. | C/C=C(/C)C(=O)O[C@H]1CC[N+]2([O-])CC=C(COC(=O)[C@@](O)([C@H](C)OC)C(C)(C)O)[C@H]12 |
CCC(CC1CCCC(N1C)CC(C)O)O | AABJNGWHRMRAFV | The molecule is a natural product found in Lobelia inflata with data available. | CCC(O)CC1CCCC(CC(C)O)N1C |
CN1CC[C@]23[C@@H1]4[C@@H1](CC[C@]2([C@H1]1CC5=C3C(=C(C=C5)O)O4)O)O | AABLHGPVOULICI | The molecule is a member of phenanthrenes. | CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](O)CC[C@@]3(O)[C@H]1C5 |
C(C(=O)[O-1])P(=O)(O)[O-1].O.[Na+1].[Na+1] | AABSNGAQFNHPMF | The molecule is a sodium salt formulation of phosphonoacetic acid with activity against herpes simplex viruses and other members of the herpes virus family. Fosfonet inhibits viral DNA polymerase and inhibits the synthesis of viral DNA. | O.O=C([O-])CP(=O)([O-])O.[Na+].[Na+] |
C/C=C(\C)/C(=O)OC1CC2CC(C(C1)N2C)O | AABSYOQYJYBHOJ | The molecule is a natural product found in Datura stramonium with data available. The molecule is a natural product found in Datura inoxia, Datura stramonium, and Brugmansia arborea with data available. | C/C=C(\C)C(=O)OC1CC2CC(O)C(C1)N2C |
CC1=CC(=CO1)C | AABTWRKUKUPMJG | The molecule is a natural product found in Solanum lycopersicum with data available. The molecule is a member of the class of furans that is furan in which the hydrogens at positions 2 and 4 are replaced by methyl groups. It has a role as a human metabolite, a plant metabolite and a flavouring agent. | Cc1coc(C)c1 |
CC[C@H1]1CC/C(=C\2/C(=O)[C@H1](OC2=O)C)/O1 | AABWXKZJSNWRSH | The molecule is a natural product found in Pyricularia grisea, Kali collinum, and other organisms with data available. The molecule is a natural product found in Pyricularia oryzae, Penicillium terrestre, and other organisms with data available. The molecule is a natural product found in Tribulus terrestris and Penicil... | CC[C@H]1CC/C(=C2\C(=O)O[C@H](C)C2=O)O1 |
CCN(CC)CCOC(=O)CC(C1=CC=CC=C1)(C2=CC=CC=C2)O.Cl | AABXRENNINHJOR | The molecule is a diarylmethane. | CCN(CC)CCOC(=O)CC(O)(c1ccccc1)c1ccccc1.Cl |
OP(O)(O)(O)O | AABYYJJYNNFNDG | The molecule is an inorganic molecular entity. | OP(O)(O)(O)O |
CC/C=C\C[C@H1]1[C@H1](C=CC1=O)CCCCCCCC(=O)OC[C@@H1](CO[C@H1]2[C@@H1]([C@H1]([C@H1]([C@H1](O2)CO)O)O)O)O | AABZWWBXDMYGEW | The molecule is a natural product found in Ipomoea tricolor with data available. | CC/C=C\C[C@@H]1C(=O)C=C[C@@H]1CCCCCCCC(=O)OC[C@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |
CC1CC(N2C1C3=NC(=CS3)C4=NC(=CS4)C5=C(C=CC(=N5)C6=NC(=CS6)C(=NC(=C)C(=NC(=C)C(=O)O)O)O)C7=NC(=C(O7)C)C(=NC(C8=NC(=CS8)C(=NC(C9=NC(CS9)C(=NC(C2=O)CC%10=CC=C(C=C%10)O)O)CC%11=CC=CC=C%11)O)CC(=N)O)O)O | AABZZWPMCAZHFC | The molecule is a natural product found in Streptomyces with data available. | C=C(N=C(O)C(=C)N=C(O)c1csc(-c2ccc3c(n2)-c2csc(n2)-c2csc(n2)C2C(C)CC(O)N2C(=O)C(Cc2ccc(O)cc2)N=C(O)C2CSC(=N2)C(Cc2ccccc2)N=C(O)c2csc(n2)C(CC(=N)O)N=C(O)c2nc-3oc2C)n1)C(=O)O |
C(C(=O)[O-1])N.C(C(=O)[O-1])N.[Mg+2] | AACACXATQSKRQG | The molecule is an orally available magnesium salt of glycine. Magnesium activates over 600 enzymes and is essential for DNA and RNA synthesis, cellular repair, and maintaining the antioxidant status of the cell. Magnesium plays a key role in bone and muscle function and assists in the activation of vitamin D, which he... | NCC(=O)[O-].NCC(=O)[O-].[Mg+2] |
CC(=CCC/C(=C/CC/C(=C/C[C@@H1](CO)C(=C)CC/C=C(\C)/CCC=C(C)C)/C)/C)C | AACFCESRKATSDI | The molecule is a natural product found in Euphorbia lateriflora, Euphorbia guyoniana, and other organisms with data available. The molecule is a natural product found in Euphorbia guyoniana and Euphorbia peplus with data available. | C=C(CC/C=C(\C)CCC=C(C)C)[C@H](CO)C/C=C(\C)CC/C=C(\C)CCC=C(C)C |
C1CC2=C(C(=O)NC1)OC3=C2C=C(C=C3)O | AACFPJSJOWQNBN | The molecule is a member of benzofurans. | O=C1NCCCc2c1oc1ccc(O)cc21 |
C[C@H1]1[C@@H1]2[C@H1](C/C(=C\CC/C(=C/[C@H1]2OC1=O)/C)/CO)O | AACJDWCUEJRPLO | The molecule is a natural product found in Artemisia gypsacea, Artemisia oliveriana, and other organisms with data available. The molecule is a natural product found in Blainvillea acmella with data available. | C/C1=C\[C@H]2OC(=O)[C@@H](C)[C@@H]2[C@@H](O)C/C(CO)=C\CC1 |
C1=C(NC(=C1Br)Br)C(=O)NC/C=C/C2=C(NC(=N2)N)C3(C(=O)NC(=N3)N)/C=C/CNC(=O)C4=CC(=C(N4)Br)Br | AACKLUYHFHIQSO | The molecule is a natural product found in Agelas mauritiana with data available. | NC1=NC(/C=C/CNC(=O)c2cc(Br)c(Br)[nH]2)(c2[nH]c(N)nc2/C=C/CNC(=O)c2cc(Br)c(Br)[nH]2)C(=O)N1 |
C[C@H1]1C[C@H1]2[C@H1](CC=C1C=O)[C@H1](C(=O)O2)C | AACLWACKHXOGDA | The molecule is a natural product found in Xanthium sibiricum with data available. | C[C@H]1C[C@@H]2OC(=O)[C@H](C)[C@H]2CC=C1C=O |
C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3.C4CNCCN(C4)S(=O)(=O)C5=CC=CC6=C5C=CN=C6.O.Cl.Cl | AACOJGPCMIDLEY | The molecule is a hydrate that is the hemihydrate form of fasudil hydrochloride. It is a drug indicated for the prevention of cerebral vasospasm and ensuing cerebral ischemia following surgery for subarachnoid hemorrhage. It has a role as an antihypertensive agent, a calcium channel blocker, an EC 2.7.11.1 (non-specifi... | Cl.Cl.O.O=S(=O)(c1cccc2cnccc12)N1CCCNCC1.O=S(=O)(c1cccc2cnccc12)N1CCCNCC1 |
CC1C(CCC(N1)CCCCCCCCCCC(=O)C)OC(=O)C | AACOWOOKWQCRBQ | The molecule is a natural product found in Senna spectabilis with data available. The molecule is a natural product found in Senna spectabilis with data available. | CC(=O)CCCCCCCCCCC1CCC(OC(C)=O)C(C)N1 |
C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2[N+1](=O)[O-1] | AACRWZVDRSTLKY | The molecule is a sulfonamide. | O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCCCC1 |
C[C@@H1]1[C@H1]2CSC(=N[C@]2(CO1)C3=C(C=CC(=C3)NC(=O)C4=NC=C(N=C4)C(F)F)F)N | AACUJFVOHGRMTR | The molecule is under investigation in clinical trial NCT02956486 (A 24-Month Study to Evaluate the Efficacy and Safety of Elenbecestat (E2609) in Subjects With Early Alzheimer's Disease). | C[C@H]1OC[C@]2(c3cc(NC(=O)c4cnc(C(F)F)cn4)ccc3F)N=C(N)SC[C@H]12 |
CCC(C(=O)OCC)SC1=NC=NC2=C1N=NN2C3=CC=C(C=C3)F | AACUKVXTFOXDGE | The molecule is a member of triazoles. | CCOC(=O)C(CC)Sc1ncnc2c1nnn2-c1ccc(F)cc1 |
CC1=C(C(=O)NC(=O)N1)/C=N/OCC2=CC=C(C=C2)OC | AACUVVMEFJMWSX | The molecule is a member of methoxybenzenes. | COc1ccc(CO/N=C/c2c(C)[nH]c(=O)[nH]c2=O)cc1 |
CC=C(C)C(=O)OC1CC2C(CC=C3C2(CCC(C3)OC4CC(C(C(O4)C)OC5CC(C(C(O5)C)OC6C(C(C(C(O6)C)OC7C(C(C(C(O7)CO)O)O)O)OC)O)OC)OC)C)C8(C1(C(CC8)C(=O)C)C)O | AACVPYUISGWNOU | The molecule is a natural product found in Hoodia gordonii with data available. | CC=C(C)C(=O)OC1CC2C(CC=C3CC(OC4CC(OC)C(OC5CC(OC)C(OC6OC(C)C(OC7OC(CO)C(O)C(O)C7O)C(OC)C6O)C(C)O5)C(C)O4)CCC32C)C2(O)CCC(C(C)=O)C12C |
C[C@H1]1[C@@H1]2[C@@H1]([C@H1]3[C@]([C@H1]1C(=O)O2)(C(=O)C=C4[C@@]3(C(=O)C(=C4C)Cl)C)C)O | AADARBXIPKSRIY | The molecule is a natural product found in Eurycoma longifolia with data available. The molecule is a natural product found in Eurycoma longifolia with data available. | CC1=C(Cl)C(=O)[C@@]2(C)C1=CC(=O)[C@]1(C)[C@@H]2[C@@H](O)[C@@H]2OC(=O)[C@H]1[C@H]2C |
CCC1=CC(=C(C(=C1O)C(=O)NC[C@@H1]2CCCN2CC)OC)Cl | AADCDMQTJNYOSS | The molecule is a member of salicylamides. The molecule is a member of benzamides. | CCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2CCCN2CC)c1O |
C[C@H1]1[C@H1]2[C@H1](C[C@@H1]3[C@@]2(C(=O)C[C@H1]4[C@H1]3CC[C@H1]5[C@@]4(CC[C@@H1](C5)O[C@H1]6[C@@H1]([C@H1]([C@@H1]([C@H1](O6)CO)O)O[C@H1]7[C@@H1]([C@H1]([C@@H1](CO7)O)O)O)O[C@H1]8[C@@H1]([C@H1]([C@@H1]([C@H1](O8)CO)O)O)O)C)C)O[C@]19CCC(CO9)C | AADIIQJBIMAADJ | The molecule is a natural product found in Yucca schidigera with data available. The molecule is a natural product found in Yucca schidigera with data available. | CC1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC(=O)[C@]3(C)[C@H]1[C@@H]2C |
C1CCC(CC1)(CC(=O)O)O | AADJJWDBCQRALD | The molecule is a 3-hydroxy monocarboxylic acid consisting of cyclohexane carrying carboxymethyl and hydroxy substituents both at the 1-position. It is functionally related to an acetic acid. | O=C(O)CC1(O)CCCCC1 |
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)[C@H1]4[C@@H1]([C@H1]([C@@H1]([C@H1](O4)CO)O)O)O)O)O | AADKXIMJEZKHCG | The molecule is a natural product found in Parkinsonia aculeata with data available. | COc1ccc(-c2cc(=O)c3c(O)c([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)cc3o2)cc1O |
CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H1](COP(=O)([O-1])OCC[N+1](C)(C)C)[C@@H1](/C=C/CCCCCCCCCCCCC)O | AADLTHQNYQJHQV | The molecule is a sphingomyelin d18:1 in which the ceramide N-acyl group is specified as icosanoyl. It has a role as an animal metabolite. It is a sphingomyelin 38:1 and a sphingomyelin d18:1. It is functionally related to an icosanoic acid. The molecule is a natural product found in Trypanosoma brucei with data availa... | CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCCCCCCC |
CC1=C[C@@]2([C@](CC1)([C@]3([C@@H1]([C@H1]([C@H1]([C@@]34CO4)O2)O)OC(=O)C)C)CO)C | AADMRFXTAGXWSE | The molecule is a natural product found in Calonectria kyotensis with data available. | CC(=O)O[C@@H]1[C@@H](O)[C@H]2O[C@]3(C)C=C(C)CC[C@]3(CO)[C@]1(C)[C@]21CO1 |
COC1=C(C=CC2=C1C=CO2)C(=O)CC(C3=CC=CC=C3)OC | AADNEQWIZKTMBL | The molecule is a butanone. The molecule is a natural product found in Pongamia pinnata with data available. | COc1c(C(=O)CC(OC)c2ccccc2)ccc2occc12 |
CC1CCC2=C(C1)C3=C(C=C(C=C3OC(=O)C)C)OC2(C)C | AADNQNOXNWEYHS | The molecule has been used in trials studying the treatment of Chronic Idiopathic Constipation. | CC(=O)Oc1cc(C)cc2c1C1=C(CCC(C)C1)C(C)(C)O2 |
C[C@@H1]1[C@H1]2C3=CC=C4[C@]([C@@]3(CC[C@]2(CCC1(C)C)C)C)(CC[C@@H1]5[C@@]4([C@@H1]([C@H1]([C@@H1](C5(C)C)OC(=O)C)O)O)C)C | AADOJZQDYHYGQE | The molecule is a natural product found in Salvia kronenburgii with data available. | CC(=O)O[C@H]1[C@H](O)[C@@H](O)[C@]2(C)C3=CC=C4[C@@H]5[C@@H](C)C(C)(C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C |
COC1=CC(=C(C=C1)C2=CC(N3C(=NN=N3)N2)C4=CC(=C(C=C4)OC)OC)OC | AADORYZVGJDNSZ | The molecule is a dimethoxybenzene. | COc1ccc(C2=CC(c3ccc(OC)c(OC)c3)n3nnnc3N2)c(OC)c1 |
CC1=CC(=C(C=C1)C(C)C)C | AADQFNAACHHRLT | The molecule is a natural product found in Zataria multiflora with data available. The molecule is a monoterpenoid. | Cc1ccc(C(C)C)c(C)c1 |
C[C@H1]1[C@@H1](OC(=O)[C@@H1]([C@H1]1O)C)C[C@@H1](/C=C\[C@H1](C)[C@@H1]([C@@H1](C)/C=C(/C)\C[C@H1](C)[C@H1]([C@H1](C)[C@H1]([C@@H1](C)/C=C\C=C)OC(=O)N)O)O)O | AADVCYNFEREWOS | The molecule is a diterpenoid. The molecule is a natural product found in Discodermia with data available. The molecule is a natural product found in Discodermia dissoluta with data available. The molecule is a natural product found in Discodermia with data available. | C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](O)C[C@@H]1OC(=O)[C@H](C)[C@@H](O)[C@H]1C |
C[C@@H1]1CN([C@@H1](COC2=C(C=CC(=C2)NC(=O)NC(C)C)C(=O)N(C[C@@H1]1OC)C)C)C | AADVJQLQUVDEBP | The molecule is a lactam and an azamacrocycle. The molecule is an azamacrocycle and a lactam. The molecule is a lactam and an azamacrocycle. The molecule is an azamacrocycle and a lactam. The molecule is an azamacrocycle and a lactam. The molecule is an azamacrocycle and a lactam. | CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@@H](C)N(C)C[C@H]1C |
C[C@]12CCC(=O)C([C@@H1]1CC(=O)C3=CC(=C(C=C23)OC)OC)(C)C | AADVXNOKRRUFBA | The molecule is a natural product found in Azadirachta indica with data available. | COc1cc2c(cc1OC)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC2=O |
COC1=C(C(=C2C(=C1)OC=C(C2=O)C3=C(C(=CC=C3)O)OC)OC)O | AADVYQITORPNCH | The molecule is a natural product found in Halothamnus somalensis with data available. | COc1cc2occ(-c3cccc(O)c3OC)c(=O)c2c(OC)c1O |
C1C[C@@H1]([C@@H1]([C@@H1]2[C@@H1]1CN3CCC4=C([C@@H1]3C2)NC5=CC=CC=C45)C(=O)O)O | AADVZSXPNRLYLV | The molecule is a yohimban alkaloid. It is functionally related to a 17alpha-yohimbol. | O=C(O)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O |
CC1=CC(=O)C2=C(C=C(C=C2OC1)CC(=O)C3=CC=C(C=C3)OC)O | AADYUTNWVZZMPC | The molecule is a natural product found in Arundina graminifolia with data available. | COc1ccc(C(=O)Cc2cc(O)c3c(c2)OCC(C)=CC3=O)cc1 |
CCCCCCCCCCCCCOC(=O)CCC | AAEAAZAPXYHUIW | The molecule is a carboxylic ester. | CCCCCCCCCCCCCOC(=O)CCC |
CC(=CCC/C(=C/CC/C(=C/CC[C@H1]([C@](C)(CC/C=C(\C)/CCC=C(C)C)O)O[C@@H1]1[C@H1]([C@@H1]([C@H1]([C@H1](O1)CO)O)O)O)/C)/C)C | AAEDIAWSKYSEKJ | The molecule is a natural product found in Irpex with data available. | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@](C)(O)CC/C=C(\C)CCC=C(C)C |
CC(CCC(C)(C)C(=C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(=O)C5)C)C | AAEDYGXQNJNTAM | The molecule is a natural product found in Otochilus fuscus with data available. | C=C(C)C(C)(C)CCC(C)C1CCC2(C)C3CCC4CC(=O)CCC45CC35CCC12C |
C[C@]12CCC(=O)C([C@@H1]1C(=O)C[C@@]3([C@@H1]2CC(=C)[C@]4([C@@]3(C(=O)[C@](C4=O)(C)O)C(=O)OC)C)C)(C)C | AAEFHLQEFDWSRN | The molecule is a natural product found in Aspergillus terreus with data available. | C=C1C[C@@H]2[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3C(=O)C[C@@]2(C)[C@@]2(C(=O)OC)C(=O)[C@](C)(O)C(=O)[C@@]12C |
CC1=C[C@H1]2[C@H1]([C@@H1](C1)C3=CC(=C(C=C3)O)O)[C@H1](OC4=C2C=C5C=CC(=O)OC5=C4)C6=C(C=C(C=C6)O)OC | AAEFZQHINRCTBX | The molecule is a natural product found in Brosimum rubescens with data available. The molecule is a natural product found in Brosimum rubescens with data available. | COc1cc(O)ccc1[C@H]1Oc2cc3oc(=O)ccc3cc2[C@H]2C=C(C)C[C@@H](c3ccc(O)c(O)c3)[C@@H]21 |
C[C@H1]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H1]1CN(C)C(=O)NC4=CC=CC=C4C(F)(F)F)[C@@H1](C)CO | AAENOGRDWGDRJO | The molecule is a member of ureas. The molecule is a member of ureas. The molecule is a member of ureas. The molecule is a member of ureas. The molecule is a member of ureas. The molecule is a member of ureas. | C[C@H]1CN([C@@H](C)CO)C(=O)c2ccccc2-c2ccccc2CO[C@H]1CN(C)C(=O)Nc1ccccc1C(F)(F)F |
CC(=CCC1=C2C(=C(C3=C1O[C@@]45[C@H1]6C[C@@H1](C=C4C3=O)C(=O)[C@@]5(OC6(C)C)C/C=C(/C)\C(=O)O)O)C=C[C@@](O2)(C)C/C=C/C(C)(C)O)C | AAEQTEKIFSEBLF | The molecule is a natural product found in Garcinia hanburyi with data available. | CC(C)=CCc1c2c(c(O)c3c1O[C@]14C(=C[C@@H]5C[C@H]1C(C)(C)O[C@@]4(C/C=C(/C)C(=O)O)C5=O)C3=O)C=C[C@@](C)(C/C=C/C(C)(C)O)O2 |
CCCCCCCCCCCC/C=C/[C@H1]([C@H1](COP(=O)([O-1])OCC[N+1](C)(C)C)N)O | AAERQLSYRRXFMA | The molecule is a member of phosphocholines. | CCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)COP(=O)([O-])OCC[N+](C)(C)C |
C1C[C@H1](N(C1)C(=O)[C@H1](CC2=CC=CC=C2)N)C(=O)N[C@@H1](CC(=O)O)C(=O)O | AAERWTUHZKLDLC | The molecule is a peptide. | N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)O |
CC1=C2[C@@H1](C[C@H1]([C@]34[C@@H1]1CCC=C3C(=O)OC4)OC(=O)C)C(=O)O[C@H1]2C5=COC=C5 | AAESZUTUGQRGAR | The molecule is a natural product found in Salvia xalapensis and Salvia fulgens with data available. The molecule is a natural product found in Salvia fulgens with data available. | CC(=O)O[C@@H]1C[C@H]2C(=O)O[C@@H](c3ccoc3)C2=C(C)[C@H]2CCC=C3C(=O)OC[C@]321 |
CC(C)NC1=NC(=NC(=N1)SC)NC(C)C | AAEVYOVXGOFMJO | The molecule is a selective herbicide which controls annual grasses and broadleaf weeds in a variety of crops including cotton and celery. It inhibits photosynthesis in susceptible species. Prometryn is available in wettable powder and liquid formulations. Prometryn is a slightly to moderately toxic compound which is c... | CSc1nc(NC(C)C)nc(NC(C)C)n1 |
CC1=COC2=C1[C@H1]3[C@]4([C@@H1](C2)CC[C@@H1]([C@H1]4C(=O)O3)OC(=O)C(=C)C)C | AAFGLKZFFAONJE | The molecule is a natural product found in Ligularia cymbulifera with data available. | C=C(C)C(=O)O[C@H]1CC[C@@H]2Cc3occ(C)c3[C@@H]3OC(=O)[C@H]1[C@]23C |
CC(=O)N[C@@H1]1[C@H1](C[C@@](O[C@H1]1[C@@H1]([C@@H1](CO)O)O)(C(=O)O)O[C@H1]2[C@H1]([C@H1](O[C@H1]([C@@H1]2O)O[C@@H1]3[C@H1](O[C@H1]([C@@H1]([C@H1]3O)NC(=O)C)OC[C@H1]([C@@H1]([C@@H1]([C@H1](CO)NC(=O)C)O[C@H1]4[C@@H1]([C@H1]([C@@H1]([C@H1](O4)CO)O)O[C@H1]5[C@@H1]([C@H1]([C@H1]([C@H1](O5)CO)O)O)O)NC(=O)C)O)O)CO)CO)O)O | AAFHBPLPQSANFW | The molecule is a member of neuraminic acids. | CC(=O)N[C@H]1[C@H](OC[C@@H](O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2NC(C)=O)[C@H](CO)NC(C)=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@@H]1O |
C1[C@@H1](O1)[C@@H1]([C@@H1]([C@@H1]2CO2)O)O | AAFJXZWCNVJTMK | The molecule is a bifunctional hexitol derivative with potential antineoplastic activity. Dianhydrogalactitol alkylates and cross-links DNA via an epoxide group during all phases of the cell cycle, resulting in disruption of DNA function and cell cycle arrest. (NCI04) The molecule has been used in trials studying the t... | O[C@H]([C@H](O)[C@@H]1CO1)[C@H]1CO1 |
CCCCCCCCCCCC/C=C/OC[C@H1](COP(=O)([O-1])OCC[N+1](C)(C)C)O | AAFONNYQRYRPOU | The molecule is a lysophosphatidylcholine O-14:0. The molecule is a glycerophosphocholine and an ether lipid. | CCCCCCCCCCCC/C=C/OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C |
CCC(CC1=CCCC1=O)C(=O)O | AAFQBGIWLGZYHH | The molecule is a natural product found in Pseudomonas with data available. | CCC(CC1=CCCC1=O)C(=O)O |
CCCC/C=C\CCCCCCCC1=CC(=C(C(=C1)O)C)O | AAFWHAONVYRTMW | The molecule is a natural product found in Ardisia compressa with data available. The molecule is a natural product found in Ardisia compressa with data available. | CCCC/C=C\CCCCCCCc1cc(O)c(C)c(O)c1 |
CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3OC)OC4CCC5(C6CCC7=COC8(C7C(CO8)OC(=O)C6C(C=C5C4)O)C)C)C)C)OC)O | AAFWYAODWHKZTF | The molecule is a natural product found in Vincetoxicum paniculatum with data available. | COC1CC(OC2C(O)CC(OC3C(C)OC(OC4CCC5(C)C(=CC(O)C6C(=O)OC7COC8(C)OC=C(CCC65)C78)C4)CC3OC)OC2C)OC(C)C1O |
C1=CC(=CC=C1/C=C/C(=O)O)/C=C/C(=O)O | AAFXQFIGKBLKMC | The molecule appears as yellow powder or solid. | O=C(O)/C=C/c1ccc(/C=C/C(=O)O)cc1 |
CCCC[C@H1]1CCCC[C@@H1](CC2=CC(=C([C@H1](CCCC[C@@H1](CC3=CC(=C1C(=C3)O)O)C)CCCC)C(=C2)O)O)C | AAGAYZNADYXWIQ | The molecule is a natural product found in Nostoc and Cylindrospermum licheniforme with data available. | CCCC[C@H]1CCCC[C@H](C)Cc2cc(O)c(c(O)c2)[C@@H](CCCC)CCCC[C@H](C)Cc2cc(O)c1c(O)c2 |
COC1=C(C=CC(=C1)C[C@H1]2COC(=O)[C@@H1]2CC3=CC(=C(C=C3)O[C@H1]4[C@@H1]([C@H1]([C@@H1]([C@H1](O4)CO)O)O)O)OC)O | AAGCATAPYOEULE | The molecule is a natural product found in Abeliophyllum distichum, Forsythia suspensa, and other organisms with data available. The molecule is a lignan that is (-)-matairesinol in which one of the phenolic hydroxy groups has been replaced by a beta-D-glucosyl residue. It has a role as a plant metabolite. It is a gamm... | COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O |
C1C[C@@H1]2CN3[C@H1](CC=CC3=O)[C@H1]4[C@H1]2N(C1)CCC4 | AAGFPTSOPGCENQ | The molecule is a natural product found in Sophora alopecuroides with data available. The molecule is a natural product found in Daphniphyllum oldhamii, Sophora viciifolia, and other organisms with data available. The molecule is a natural product found in Sophora viciifolia, Sophora moorcroftiana, and other organisms ... | O=C1C=CC[C@@H]2[C@@H]3CCCN4CCC[C@H](CN12)[C@@H]34 |
COC1=CC=C(C=C1)C(=O)CN2N=C(N=N2)C3=CC=CS3 | AAGGUCRASUJPPN | The molecule is an aromatic ketone. | COc1ccc(C(=O)Cn2nnc(-c3cccs3)n2)cc1 |
C[C@H1]1[C@H1](OC(=O)[C@H1]1NC(=O)/C(=C/C=C/[C@@H1](C)[C@H1]2CC[C@@]3([C@@]2(CCC4=C3CC[C@@H1]5[C@@]4(CC[C@@H1](C5(C)C)O[C@H1]6[C@@H1]([C@H1]([C@@H1]([C@H1](O6)CO)O[C@H1]7[C@@H1]([C@@H1]([C@H1]([C@@H1](O7)C)O)O)O)O)O[C@H1]8[C@@H1]([C@H1]([C@@H1]([C@H1](O8)CO)O)O)O[C@H1]9[C@@H1]([C@@H1]([C@H1]([C@@H1](O9)C)O)O)O)C)CO)C)/... | AAGKUIHVUGOTOT | The molecule is a natural product found in Mussaenda pubescens with data available. | C/C(=C\C=C\[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12CO)[C@@]1(C)CC[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)C(C)(C)[C@@H]1CC3)C(=O)N[C@@H]1C(=O)O[C@H](C)[C@@H]1C |
C[C@@H1]1[C@@H1]([C@@H1]([C@H1]([C@@H1](O1)OC[C@@H1]2[C@H1]([C@@H1]([C@H1]([C@@H1](O2)O[C@H1]3CC[C@]4([C@H1](C3(C)C)CC[C@@]5([C@@H1]4CC=C6[C@]5(C[C@H1]([C@@]7([C@H1]6CC([C@H1](C7)OC(=O)/C(=C/CC[C@](C)(C=C)O[C@H1]8[C@@H1]([C@H1]([C@@H1]([C@H1](O8)C)OC(=O)/C(=C/CC[C@](C)(C=C)O)/C)O)O)/CO)(C)C)C(=O)O[C@H1]9[C@@H1]([C@H1](... | AAGNHEFESXZZGI | The molecule is a natural product found in Acacia victoriae with data available. The molecule is a natural product found in Acacia victoriae with data available. | C=C[C@](C)(O)CC/C=C(\C)C(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@@](C)(C=C)CC/C=C(\CO)C(=O)O[C@H]2C[C@]3(C(=O)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@H](O[C@@H]5O[C@@H](CO)[C@H](O)[C@H]5O)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@H](O)C[C@]4(C)C(=CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7O... |
CC(=O)O[C@@H1]1C[C@@H1]2[C@]3(CCCC([C@@H1]3CC[C@]2([C@H1]4[C@]1(C5=C([C@@H1](C4)OC)C(=O)O[C@H1]5O)C)C)(C)C)C | AAGQILLTUBPRPF | The molecule is a natural product found in Hyattella with data available. The molecule is a scalarane sesterterpenoid isolated from the sponge, Hyattella species. It has a role as a metabolite. It is a scalarane sesterterpenoid, a gamma-lactone, an acetate ester and an organic heteropentacyclic compound. | CO[C@@H]1C[C@H]2[C@]3(C)CC[C@H]4C(C)(C)CCC[C@]4(C)[C@H]3C[C@@H](OC(C)=O)[C@]2(C)C2=C1C(=O)O[C@H]2O |
C/C(=C/C[C@H1](/C(=C/Cl)/C)O)/Cl | AAGSVSIRUBZUSD | The molecule is a natural product found in Plocamium cartilagineum with data available. | C/C(Cl)=C/C[C@@H](O)/C(C)=C/Cl |
C1CC2=C(C=C(C=C2OC1C3=CC=CC=C3)OC4C(C(C(C(O4)CO)O)O)O)O | AAHNTCWRJBNODQ | The molecule is a natural product found in Enkianthus nudipes with data available. The molecule is a glycoside and a member of flavonoids. | OCC1OC(Oc2cc(O)c3c(c2)OC(c2ccccc2)CC3)C(O)C(O)C1O |
CC1(CC2=C(CC1O)C(=O)C3=C(C2=O)C=C(C=C3O)OC)O | AAHQQIFXAQHGBD | The molecule is a natural product found in Alternaria porri with data available. The molecule is a natural product found in Dichotomophthora lutea, Alternaria porri, and other organisms with data available. | COc1cc(O)c2c(c1)C(=O)C1=C(CC(O)C(C)(O)C1)C2=O |
C1=C(C=C(C2=C1C(=O)C3=C(C2=O)C(=CC(=C3)O)O)O)CCCO | AAHSFWSBDAPJRG | The molecule is a natural product found in Echinaster echinophorus with data available. | O=C1c2cc(O)cc(O)c2C(=O)c2c(O)cc(CCCO)cc21 |
CC[C@H1](C)[C@@H1](C(=O)N[C@@H1]([C@@H1](C)CC)C(=O)O)NC(=O)CN | AAHSHTLISQUZJL | The molecule is a peptide. | CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)CN)[C@@H](C)CC)C(=O)O |
C[C@@H1](CCCOC(=O)C)C1=C(C[C@@H1]2[C@@H1]([C@@H1]1OC(=O)C)C(=C)C(=O)O2)COC(=O)C(C)C | AAHSTEUFCXJGIV | The molecule is a natural product found in Eriophyllum lanatum with data available. | C=C1C(=O)O[C@@H]2CC(COC(=O)C(C)C)=C([C@@H](C)CCCOC(C)=O)[C@@H](OC(C)=O)[C@@H]12 |
CC1=CC(=CC(=C1OC(=O)N(C)C)C)C(=O)CS(=O)(=O)C2=CC=CC=C2 | AAHUMVOTCJGEFN | The molecule is an aromatic ketone. | Cc1cc(C(=O)CS(=O)(=O)c2ccccc2)cc(C)c1OC(=O)N(C)C |
CCC(C)C1=C2[C@@H1](COC2=O)[C@H1]([C@@H1](O1)C)C | AAHWXJUQSQBIIS | The molecule is a natural product found in Cadophora luteo-olivacea with data available. | CCC(C)C1=C2C(=O)OC[C@H]2[C@@H](C)[C@H](C)O1 |
CC1(/C=C\N2[C@@H1](CC(=O)C3=C(C4=C(C=C3)OC(C=C4)(C)C)NC1=O)C(=O)N5CCC=C5C2=O)C | AAHYGZUPDVSZOC | The molecule is a natural product found in Aspergillus versicolor with data available. | CC1(C)C=Cc2c(ccc3c2NC(=O)C(C)(C)/C=C\N2C(=O)C4=CCCN4C(=O)[C@@H]2CC3=O)O1 |
C[C@H1]1[C@H1]([C@H1]([C@@H1]([C@@H1](O1)O[C@@H1]2[C@H1]([C@@H1](O[C@@H1]([C@H1]2O[C@H1]3[C@@H1]([C@H1]([C@H1]([C@H1](O3)CO)O)O)O)CO)O[C@@H1]4[C@H1](O[C@H1]([C@H1]([C@H1]4O)O[C@H1]5[C@@H1]([C@H1]([C@@H1]([C@H1](O5)CO)O[C@H1]6[C@@H1]([C@H1]([C@H1]([C@H1](O6)CO)O)O)O)O)NC(=O)C)O[C@H1]7[C@@H1]([C@H1](O[C@H1]([C@H1]7O)O[C@... | AAHYMNJLDQLIQL | The molecule is a member of carbohydrates and carbohydrate derivatives. The molecule is a member of carbohydrates and carbohydrate derivatives. The molecule is a polysaccharide. The molecule is a member of carbohydrates and carbohydrate derivatives. The molecule is a member of carbohydrates and carbohydrate derivatives... | CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]2CO)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H... |
CCCN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=C(ON=C2C)C)N | AAHZIIKQJCMENQ | The molecule is an aromatic ketone. | CCCn1c(N)c(C(=O)COC(=O)c2c(C)noc2C)c(=O)n(C)c1=O |
CCCCCCCCCCCCCCC=CC(CC(=O)O)C(=O)O | AAHZZGHPCKJNNZ | The molecule is a long-chain fatty acid. | CCCCCCCCCCCCCCC=CC(CC(=O)O)C(=O)O |
C1=CC=C(C=C1)C/C(=C\C2=CC=C(C=C2)O)/C(=O)O | AAIAXLSFJXNMRE | The molecule is a natural product found in Populus tremula, Populus tomentosa, and other organisms with data available. | O=C(O)/C(=C/c1ccc(O)cc1)Cc1ccccc1 |
CC1=C(C(=O)C2=C(N1)CCC[C@@H1]2CCCCCC[C@H1](C)O[C@H1]3[C@@H1]([C@H1]([C@@H1]([C@H1](O3)CO)O)O)O)OC | AAIFDTKGUYHLAI | The molecule is a natural product found in Antidesma membranaceum with data available. | COc1c(C)[nH]c2c(c1=O)[C@@H](CCCCCC[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CCC2 |
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