anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C/C/1=C\\CC/C(=C/C[C@@H](CC/C(=C/CC1)/C)C(C)(C)O)/C is a cembrane diterpenoid obtained by regio- and stereoselective hydration of the exocyclic double bond of cembrene C. It has a role as a bacterial metabolite and a coral metabolite. It is a macrocycle, a cembrane diterpenoid, a tertiary alcohol and an olefinic compound. It derives from a cembrene C.
The molecule S1(=O)(=O)[C@H](\C=C/2\[C@]3([C@@]([C@](CC3)([C@H](C)/C=C/[C@@H](C(C)C)C)[H])(CCC2)C)[H])C4=C(C1)CC[C@H](O)C4 S1(=O)(=O)[C@H](\C=C/2\[C@]3([C@@]([C@](CC3)([C@H](C)/C=C/[C@@H](C(C)C)C)[H])(CCC2)C)[H])C4=C(C1)CC[C@H](O)C4 is (6R)-vitamin D2 6,19-sulfur dioxide adduct / (6R)-ergocalciferol 6,19-sulfur dioxide adduct. It is also related to or classified as vitamin D .
The molecule [H][C@@]12CCC3=C(CC=C(C3)C(C)C)[C@]1(CCCC2(C)C)C=O [H][C@@]12CCC3=C(CC=C(C3)C(C)C)[C@]1(CCCC2(C)C)C=O is an abietane diterpenoid that is miltiradiene which carries a formyl group at position 20. It is a metabolite of miltiradiene. It has the role of plant metabolite . Its functional parent is miltiradiene . It is also related to or classified as abietane diterpenoid , carbotricyclic compound , tricyclic diterpenoid .
The molecule CC1=C2C(=CC(=C1C(=O)O)O)C(=O)C3=CC(=C(C(=C3C2=O)[O-])[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)[O-] is the beta configuration has been determined in Fiecchi et al (1981) J. Org. Chem. DOI:10.1021/jo00320a061. for kermesic acid
The molecule CCC(=O)N1[C@H]([C@H](C12CN(C2)CCC(F)(F)F)C3=CC=C(C=C3)C=CC)CO CCC(=O)N1[C@H]([C@H](C12CN(C2)CCC(F)(F)F)C3=CC=C(C=C3)C=CC)CO is LSM-41161. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule OC(CCCN1CCCCC1)(c1ccccc1)c1ccccc1 OC(CCCN1CCCCC1)(c1ccccc1)c1ccccc1 is A tertiary alcohol that is butan-1-ol substituted by two phenyl groups at position 1 and a piperidin-1-yl group at position 4. It has the role of antiemetic .   It is also related to or classified as tertiary alcohol  . It is also related to or classified as benzenes , piperidines .
The molecule C(=O)([C@@H](N)CCC(=O)N[C@@H](C[C@@H]1C(=C)C1)C(O)=O)O C(=O)([C@@H](N)CCC(=O)N[C@@H](C[C@@H]1C(=C)C1)C(O)=O)O is A 5-L-glutamyl amino acid resulting from the formal condensation of the amino group of (2S,4R)-hypoglycin A with the gamma-carboxy group of L-glutamic acid. It has the role of phytotoxin . It has the role of plant metabolite . Its functional parent is (2S,4R)-hypoglycin A . It is also related to or classified as 5-L-glutamyl amino acid  . It is also related to or classified as cyclopropanes , olefinic compound .
The molecule C[C@H]1C(=O)[C@H]([C@H](C(O1)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O is dianion of dTDP-4-dehydro-6-deoxy-L-mannose arising from deprotonation of both free OH groups of the diphosphate. It has a role as a human metabolite. It is a conjugate base of a dTDP-4-dehydro-6-deoxy-L-mannose.
The molecule CC1=C(C=CC(=C1)O)[N+](=O)[O-] is a C-nitro compound in which the nitro group is attached at C-4 of m-cresol. It derives from a m-cresol.
The molecule C[NH+]1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)OC)OC is an organic cation that is the conjugate acid of laudanine, obtained by protonation of the tertiary amino group. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of a laudanine.
The molecule [C@]12(CC[C@@H](C)C[C@]1(C=C([C@H]([C@H]2/C(/O)=C/3\C=C(NC3=O)CC(C)C)/C(=C/C)/C)C)C)[H] [C@]12(CC[C@@H](C)C[C@]1(C=C([C@H]([C@H]2/C(/O)=C/3\C=C(NC3=O)CC(C)C)/C(=C/C)/C)C)C)[H] is 3-{[(1S,2R,4aR,6R,8aS)-2-(but-2-en-2-yl)-3,4a,6-trimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl](hydroxy)methylidene}-5-(2-methylpropyl)-2,3-dihydro-1H-pyrrol-2-one. Its functional parent is myceliothermophin E .  It is also related to or classified as polyketide  . It is also related to or classified as hexahydronaphthalenes .
The molecule CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)NC(=O)CCCCCCCCCCCCC/C=C\\CCCCCCCC)O is an N-acylsphingosine 1-phosphate in which the N-acyl group is specified as (15Z)-tetracosenoyl. It has a role as a mouse metabolite and a rat metabolite. It derives from a (15Z)-tetracosenoic acid.
The molecule C[C@@H](CCCC=C(C)C)\C=[N+]1\NC(N)=[S][Ni--]11[S]=C(N)N\[N+]1=C\[C@@H](C)CCCC=C(C)C C[C@@H](CCCC=C(C)C)\C=[N+]1\NC(N)=[S][Ni--]11[S]=C(N)N\[N+]1=C\[C@@H](C)CCCC=C(C)C is A nickel coordination entity that is (S)-citronellalthiosemicarbazonate complexed with nickel in a 2:1 ratio. It induces apoptosis and exhibits anticancer properties. It has the role of antineoplastic agent . It has the role of apoptosis inducer . Its functional parent is (S)-citronellalthiosemicarbazonate . It is also related to or classified as nickel coordination entity .
The molecule C(=O)([C@@H](N)CCC(=O)N[C@@H](CC1(C(=C)C1)[H])C(O)=O)O C(=O)([C@@H](N)CCC(=O)N[C@@H](CC1(C(=C)C1)[H])C(O)=O)O is A diastereoisometic mixture containing (2S,4R)- and (2S,4S)-hypoglycin B. A metabolite of hypoglycin A found in unripe ackee fruit. It has the role of phytotoxin . It has the role of plant metabolite . It is also related to or classified as diastereoisomeric mixture .
The molecule CCCCCCC(C)(C)C1=CC=C(C2CC(O)CCC2CCCO)C(O)=C1 CCCCCCC(C)(C)C1=CC=C(C2CC(O)CCC2CCCO)C(O)=C1 is A member of the class of phenols that is phenol substituted by 5-hydroxy-2-(3-hydroxypropyl)cyclohexyl and 2-methyloctan-2-yl groups at positions 2 and 5, respectively. It is also related to or classified as primary alcohol  .  It is also related to or classified as phenols  . It is also related to or classified as cyclohexanols .
The molecule [Ti-2]12(CC(C(C1)=O)C)(CC(C(C2)C)=O)(O)O.[NH4+].[NH4+] [Ti-2]12(CC(C(C1)=O)C)(CC(C(C2)C)=O)(O)O.[NH4+].[NH4+] is A bisammonium salt of a titanium coordination entity in which the titanium central atom is coordinated to two 2-methyl-3-oxobutane-1,4-diyl bidentate ligands and two hydroxy groups. It is also related to or classified as ammonium salt , titanium coordination entity .
The molecule C/C/1=C\\[C@@H](C2C(C/C(=C/CC1)/C)OC(=O)C2=C)O is a germacranolide derived from laurenobiolide by deacetylation. It has a role as an allergen and a metabolite. It derives from a laurenobiolide.
The molecule C[C@H]([C@H]([NH3+])C([O-])=O)c1ccccc1 C[C@H]([C@H]([NH3+])C([O-])=O)c1ccccc1 is an amino acid zwitterion resulting from a transfer of a proton from the carboxy group to the amino group of (2S,3S)-beta-methylphenylalanine; major species at pH 7.3. It is also related to or classified as amino-acid zwitterion .
The molecule O1OC(CC1C(OO)/C=C/C(OO)CCCCC)/C=C/C=C/CCCC(OC)=O O1OC(CC1C(OO)/C=C/C(OO)CCCCC)/C=C/C=C/CCCC(OC)=O is Methyl 9,11-epidioxy-12,15-dihydroperoxy-5,7,13-eicosatrienoate. It is also related to or classified as fatty acid methyl ester  .
The molecule C([C@]1(CC2=CC=C(C(=C2C[NH2+]1)O)O)[H])([O-])=O C([C@]1(CC2=CC=C(C(=C2C[NH2+]1)O)O)[H])([O-])=O is (3R)-7,8-dihydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate. It is also related to or classified as isoquinoline  . It is also related to or classified as monocarboxylic acid anion  .
The molecule COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)[O-])OC)O is a flavonoid oxoanion obtained by deprotonation of the 5-hydroxy group of 3',5-dihydroxy-3,4',7-trimethoxyflavone. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate base of a 3',5-dihydroxy-3,4',7-trimethoxyflavone.
The molecule O1C(OC2=CC(CCC3=C(O)C=CC(O)=C3)=CC(OC)=C2)C(O)C(O)C(O)C1C(O)=O O1C(OC2=CC(CCC3=C(O)C=CC(O)=C3)=CC(OC)=C2)C(O)C(O)C(O)C1C(O)=O is 6-{3-[2-(2,5-dihydroxyphenyl)ethyl]-5-methoxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid. It is also related to or classified as glycoside  . It is also related to or classified as stilbenoid .
The molecule Clc1ccc(cc1)-c1ccc(Cl)c(Cl)c1Cl Clc1ccc(cc1)-c1ccc(Cl)c(Cl)c1Cl is A tetrachlorobiphenyl in which the chlorines are positions at positions 2, 3, 4, and 4'. It is also related to or classified as trichlorobenzene  . It is also related to or classified as tetrachlorobiphenyl , monochlorobenzenes .
The molecule CN1CC[C@H]2CC[C@@H]([C@H](O2)COC3=C(C=C(C=C3)C#N)C(=O)N(C[C@H](CC1=O)C4=CC=CC=C4)C)OC CN1CC[C@H]2CC[C@@H]([C@H](O2)COC3=C(C=C(C=C3)C#N)C(=O)N(C[C@H](CC1=O)C4=CC=CC=C4)C)OC is LSM-41164. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule COC1=C(C(=C(C=C1)[C@H]([C@H](CO)OC2=C(C=C(C=C2OC)[C@H]3[C@@H]4CO[C@H]([C@@H]4CO3)C5=CC(=C(C(=C5)OC)O)OC)OC)O)OC)O is a neolignan isolated from Sinocalamus affinis. It has a role as a plant metabolite. It is a neolignan, a dimethoxybenzene, a member of phenols, a furofuran, a primary alcohol and a secondary alcohol.
The molecule C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3C(=C([C@H]4[C@@H](O3)NC5=C(N4)C(=O)NC(=N5)N)[S-])[S-])O)O.O.O.O.[Mo+2] is an organophosphate oxoanion arising from deprotonation of the two diphosphate OH groups of Mo(V)-molybdopterin cytosine dinucleotide; major species at pH 7.3. It is a conjugate base of a Mo(V)-molybdopterin cytosine dinucleotide.
The molecule [H][C@@]12CC[C@]3(C)[C@]([H])(C[C@H]4O[C@]44[C@]5([H])C[C@@](C)(C=O)[C@H](C[C@]5(C)[C@@H](O)C[C@@]34C)OC(=O)c3ccccc3NC)[C@@]1(C)CC[C@H](O[C@@H]1OC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]2(C)CO [H][C@@]12CC[C@]3(C)[C@]([H])(C[C@H]4O[C@]44[C@]5([H])C[C@@](C)(C=O)[C@H](C[C@]5(C)[C@@H](O)C[C@@]34C)OC(=O)c3ccccc3NC)[C@@]1(C)CC[C@H](O[C@@H]1OC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]2(C)CO is avenacin A-1. It is also related to or classified as triterpenoid saponin , trisaccharide derivative .
The molecule CCCCC(C(=O)N(C1=CC=CC=C1)NC2=CC=CC=C2)C(=O)O is a carbohydrazide obtained by formal condensation of one of the carboxy groups from butylmalonic acid with the hydrazino group of 1,2-diphenylhydrazine. Used (as its calcium semihydrate) for treatment of rheumatoid arthritis. It has a role as a non-steroidal anti-inflammatory drug and an antipyretic. It is a monocarboxylic acid and a carbohydrazide. It derives from a malonic acid. It is a conjugate acid of a bumadizone(1-).
The molecule C[C@@]([C@H](CC(=O)O)C(=O)O)(C(=O)O)O is a 3-hydroxybutane-1,2,3-tricarboxylic acid which has (2S,3R) configuration. It has a role as an Escherichia coli metabolite. It is a conjugate acid of a (2S,3R)-3-hydroxybutane-1,2,3-tricarboxylate.
The molecule CCCC#CC1=CC=C(C=C1)[C@@H]2[C@H]3CN(CC(=O)N3[C@@H]2CO)C(=O)NC4=CC(=CC=C4)F CCCC#CC1=CC=C(C=C1)[C@@H]2[C@H]3CN(CC(=O)N3[C@@H]2CO)C(=O)NC4=CC(=CC=C4)F is (6S,7R,8S)-N-(3-fluorophenyl)-8-(hydroxymethyl)-2-oxo-7-(4-pent-1-ynylphenyl)-1,4-diazabicyclo[4.2.0]octane-4-carboxamide. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule C\C=C/C#C C\C=C/C#C is A 3-penten-1-yne in which the double bond adopts a cis-configuration. It is also related to or classified as 3-penten-1-yne  .
The molecule [O-]C(=O)c1cc(Br)c([O-])c(Br)c1 [O-]C(=O)c1cc(Br)c([O-])c(Br)c1 is dianon of 3,5-dibromo-4-hydroxybenzoic acid arising from deprotonation of both the carboxy and phenolic functions. It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as phenolate anion .
The molecule C([C@@H]1[C@H]([C@H]([C@@H](O1)N)O)O)OP(=O)(O)O is the beta-anomer of 5-phospho-D-ribosylamine. It has a role as an Escherichia coli metabolite and a mouse metabolite. It is a conjugate acid of a 5-phospho-beta-D-ribosylaminium(1-).
The molecule CN(C)CCCNC1=NC(=NC2=CC=CC=C21)CN3CCN(CC3)C(C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl CN(C)CCCNC1=NC(=NC2=CC=CC=C21)CN3CCN(CC3)C(C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl is sCH529074 is a potent and orally active p53 activator. SCH529074 binds specifically and conformation-dependently to p53 DBD ( DNA binding domain) with a Ki of 1-2 uM in a saturable manner. SCH529074 restores mutant p53 function and interrupts HDM2-mediated ubiquitination of wild Type p53. SCH529074 can be used for the study of non-small-cell lung carcinoma (NSCLC). (MedChemExpress). It is also related to or classified as organic molecular entity .
The molecule O(C1C(O)C(O)C(OC1C2=C3OC(=CC(=O)C3=C(OC4OC(C(O)C(O)C4O)CO)C=C2O)C5=CC=C(O)C=C5)CO)C6OC(C(O)C(O)C6O)C O(C1C(O)C(O)C(OC1C2=C3OC(=CC(=O)C3=C(OC4OC(C(O)C(O)C4O)CO)C=C2O)C5=CC=C(O)C=C5)CO)C6OC(C(O)C(O)C6O)C is 8-[4,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]-7-hydroxy-2-(4-hydroxyphenyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C([C@@]1(CC2=CC=C(C(=C2C[NH2+]1)O)O)[H])([O-])=O C([C@@]1(CC2=CC=C(C(=C2C[NH2+]1)O)O)[H])([O-])=O is (3S)-7,8-dihydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate. It is also related to or classified as isoquinoline  . It is also related to or classified as monocarboxylic acid anion  .
The molecule CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)([O-])[O-])CO[C@@]2(C[C@H]([C@H]([C@H](O2)[C@@H](CO)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)[C@H](CO)O)OP(=O)([O-])[O-])O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)[C@H](CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)[C@H](CO)O)O)O)O)O)O)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O[C@@]7(C[C@H]([C@H]([C@H](O7)[C@@H](CO)O)O)O)C(=O)[O-])C(=O)[O-])OC[C@@H]8[C@H]([C@@H]([C@H]([C@H](O8)OP(=O)([O-])[O-])NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC is a lipid A oxoanion obtained via deprotonation of the carboxy and phosphate OH groups of glucosyl-(heptosyl)2-4-phosphoheptosyl-(KDO)2-lipid A. It is a conjugate base of a glucosyl-(heptosyl)2-4-phosphoheptosyl-(KDO)2-lipid A.
The molecule O=C(O[C@H]1[C@]2(O[C@@]([C@@H]1O)(O[C@@H]([C@@]2(O)C(=O)O)C(=O)O)CC/C(=C/C(CC3=CC=CC=C3)C)/C)C(=O)O)/C=C/C(O)(CC(CC)C)C O=C(O[C@H]1[C@]2(O[C@@]([C@@H]1O)(O[C@@H]([C@@]2(O)C(=O)O)C(=O)O)CC/C(=C/C(CC3=CC=CC=C3)C)/C)C(=O)O)/C=C/C(O)(CC(CC)C)C is Squalestatin V. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule [C@]12(CC[C@@H](C)C[C@]1(C=C([C@H]([C@H]2C(=O)C3=C[C@@H](NC3=O)CC(C)C)/C(=C/C)/C)C)C)[H] [C@]12(CC[C@@H](C)C[C@]1(C=C([C@H]([C@H]2C(=O)C3=C[C@@H](NC3=O)CC(C)C)/C(=C/C)/C)C)C)[H] is compound 8 in ref. Its functional parent is myceliothermophin E .  It is also related to or classified as polyketide  . It is also related to or classified as hexahydronaphthalenes .
The molecule C1=CC(=CC=C1C(CC(=O)[O-])N)O is a beta-amino-acid anion that is the conjugate base of 3-amino-3-(4-hydroxyphenyl)propanoic acid, arising from deprotonation of the carboxy group. It derives from a propionate. It is a conjugate base of a 3-amino-3-(4-hydroxyphenyl)propanoic acid.
The molecule C1CC2=CC(=C(N2[C@@H]1C3=C(C=C4C5=CC(=C(N5C(=O)C4=C3O)Cl)Cl)O)Cl)Cl C1CC2=CC(=C(N2[C@@H]1C3=C(C=C4C5=CC(=C(N5C(=O)C4=C3O)Cl)Cl)O)Cl)Cl is an alkaloid natural product containing chlorinated pyrroloisoindolone and pyrrolizine rings found in a marine Streptomyces sp.. It has the role of antineoplastic agent . It has the role of EC 1.2.1.12 [glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)] inhibitor . It has the role of marine metabolite . It has the role of EC 4.2.1.* (hydro-lyases) inhibitor . It has the role of bacterial metabolite .  It is also related to or classified as organochlorine compound  . It is also related to or classified as resorcinols , beta-hydroxy ketone , pyrrolizidine alkaloid , gamma-lactam .
The molecule OC(=O)c1ccccc1 OC(=O)c1ccccc1 is A compound comprising a benzene ring core carrying a carboxylic acid substituent. It has the role of EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor . It has the role of EC 3.1.1.3 (triacylglycerol lipase) inhibitor . It has the role of antimicrobial food preservative . It has the role of plant metabolite . It has the role of human xenobiotic metabolite . It has the role of algal metabolite . It has the role of drug allergen . It is a conjugate acid of benzoate . It is also related to or classified as benzoic acids .
The molecule C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H](COP(=O)(O)O[C@@H]2[C@H]([C@H]([C@H](O[C@@H]2O[C@H]3[C@@H]([C@H](O[C@@H]([C@@H]3O)O)CO)O)CO)O)O)[C@H]([C@H](CO)O)O)O)O)O is a disaccharide phosphate consisting of alpha-D-galactosyl-(1->3)-alpha-D-glucose having a alpha-L-rhamnosyl-(1->4)-D-ribitol-5-phosphate moiety attached at the 2-position of the galactose via a phosphodiester linkage. It derives from a ribitol.
The molecule [H][C@@]12CCC3=C(C=C(O)C(=C3)C(C)C)[C@]1(CCCC2(C)C)C([O-])=O [H][C@@]12CCC3=C(C=C(O)C(=C3)C(C)C)[C@]1(CCCC2(C)C)C([O-])=O is A monocarboxylic acid anion that is the conjugate base of (+)-pisiferic acid, arising from the deprotonation of the carboxy group. Major species at pH 7.3. It is also related to or classified as monocarboxylic acid anion  .
The molecule CCN1C2=C(C=CC(=C2)OC)C3=C1C(=NC=C3)C is a member of the class of beta-carbolines that is 9H-beta-carboline substituted by a ethyl group at position 9, methoxy group at position 7 and a methyl group at position 1. It is semisynthetic derivative of harmine and has been shown to exhibit significant anti-HIV activity. It has a role as an anti-HIV agent. It is an aromatic ether, a semisynthetic derivative and a member of beta-carbolines. It derives from a harmine.
The molecule O1C([C@@H](O)[C@H](OC(=O)/C=C/C2=CC=C(O)C=C2)C(O)[C@@H]1OC=3C=C4OC(=CC(=O)C4=C(O)C3)C5=CC(OC)=C(O)C=C5)COC(=O)/C=C/C6=CC=C(O)C=C6 O1C([C@@H](O)[C@H](OC(=O)/C=C/C2=CC=C(O)C=C2)C(O)[C@@H]1OC=3C=C4OC(=CC(=O)C4=C(O)C3)C5=CC(OC)=C(O)C=C5)COC(=O)/C=C/C6=CC=C(O)C=C6 is Chrysoeriol 7-(3'',6''-di-(E)-p-coumaroylglucoside). It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C[C@]12CC[C@H]3[C@H]([C@]1(CC[C@@H]2C4=CC(=O)OC4)O)CC[C@H]5[C@@]3(CC[C@@H](C5)O)C=O is a 3beta-hydroxy steroid, a 14beta-hydroxy steroid, a 19-oxo steroid and a steroid aldehyde. It derives from a hydride of a 5beta-cardanolide.
The molecule Oc1ccc(cc1)-c1c(Cl)cc(Cl)cc1Cl Oc1ccc(cc1)-c1c(Cl)cc(Cl)cc1Cl is 2,4,6-Trichloro-4'-biphenylol.  It is also related to or classified as trichlorobenzene  . It is also related to or classified as biphenyls .
The molecule Oc1c(Br)cccc1Br Oc1c(Br)cccc1Br is A dibromophenol that is phenol in which both of the hydrogens that are ortho to the phenolic hydroxy group have been replaced by bromines. It has the role of marine metabolite . Its functional parent is 1,3-dibromobenzene . It is also related to or classified as bromohydrocarbon , dibromophenol .
The molecule C1C[C@H]2[C@@H](COC[C@H](CN2C(=O)C3=CC=CC=C3F)O)O[C@H]1CC(=O)NCC4=CC=CC=C4 C1C[C@H]2[C@@H](COC[C@H](CN2C(=O)C3=CC=CC=C3F)O)O[C@H]1CC(=O)NCC4=CC=CC=C4 is 2-[(3S,6aS,8R,10aS)-1-[(2-fluorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(phenylmethyl)acetamide. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .
The molecule CC(=CCC1=C(C(=C2C(=C1O)C(=O)C[C@H](O2)C3=CC=C(C=C3)O)CC=C(C)C)O)C is a trihydroxyflavanone that is (S)-naringenin substituted by prenyl groups at positions 6 and 8. It has a role as a plant metabolite and an antibacterial agent. It is a trihydroxyflavanone, a member of 4'-hydroxyflavanones and a (2S)-flavan-4-one. It derives from a (S)-naringenin.
The molecule [N-]=[N+]=[N-] [N-]=[N+]=[N-] is azide anion. It has the role of mitochondrial respiratory-chain inhibitor . It is also related to or classified as pseudohalide anion .
The molecule [B-]1(N2C(=CC=C2CCCCCCCCCCCC(=O)O)C=C3[N+]1=C(C=C3)C)(F)F is a BODIPY compound that is 4,4-difluoro-4-bora-3a,4a-diaza-s-indacene substituted at position 5 by a methyl group and at position 3 by a 11-carboxyundecyl group. It has a role as a fluorochrome. It is a BODIPY compound and a monocarboxylic acid. It derives from a 4,4-difluoro-4-bora-3a,4a-diaza-s-indacene.
The molecule C([C@H](C(=O)CO)O)OP(=O)(O)O is a ketotetrose phosphate that is D-erythrulose carrying a phosphono substituent at position O-4. It has a role as a bacterial metabolite. It derives from a D-erythrulose. It is a conjugate acid of a D-erythrulose 4-phosphate(2-). It is an enantiomer of a L-erythrulose 4-phosphate.
The molecule S(OC1=CC=C(C=2OC=3C4=C(C(O)=C(OC4=CC(=[OH+])C3)C5=CC(OC)=C(O)C(OC)=C5)C2)C=C1)(O)(=O)=O S(OC1=CC=C(C=2OC=3C4=C(C(O)=C(OC4=CC(=[OH+])C3)C5=CC(OC)=C(O)C(OC)=C5)C2)C=C1)(O)(=O)=O is 4-[6,11-dihydroxy-7-(4-hydroxy-3,5-dimethoxyphenyl)-2,8-dioxatricyclo[7.3.1.0?,??]trideca-1(13),4,6,9,11-pentaen-3-ylidene]cyclohexa-2,5-dien-1-ylidene hydrogen sulfuric acidium. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule CC(C)C(=O)C(=O)[O-] is a 2-oxo monocarboxylic acid anion that is the conjugate base of 3-methyl-2-oxobutanoic acid, arising from deprotonation of the carboxy group. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is a 2-oxo monocarboxylic acid anion, an oxo fatty acid anion and a branched-chain fatty acid anion. It derives from a butyrate. It is a conjugate base of a 3-methyl-2-oxobutanoic acid.
The molecule O=C1C2=C(OC(=C1)C)O[C@]3(CC[C@H]4[C@]([C@@H]3C2)(CC[C@@H]5[C@@]4([C@H](O)C[C@H](OC(=O)C)C5(C)C)C)C)C O=C1C2=C(OC(=C1)C)O[C@]3(CC[C@H]4[C@]([C@@H]3C2)(CC[C@@H]5[C@@]4([C@H](O)C[C@H](OC(=O)C)C5(C)C)C)C)C is 1-hydroxychevalone C. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule OC(=O)c1cc(Br)c(O)c(Br)c1 OC(=O)c1cc(Br)c(O)c(Br)c1 is A monohydroxybenzoic acid that is p-salicylic acid with bromo- substituents at C-3 and C-5 of the benzene ring. It has the role of marine xenobiotic metabolite . Its functional parent is 2,6-dibromophenol . Its functional parent is benzoic acid . It is a conjugate acid of 3,5-dibromo-4-hydroxybenzoate . It is a conjugate acid of 3,5-dibromo-4-oxidobenzoate(2-) .  It is also related to or classified as dibromobenzene  . It is also related to or classified as monohydroxybenzoic acid .
The molecule COC1=CC(=C(C=C1)[C@@H]2COC3=C(C2[OH2+])C=CC(=C3)O)O is an organic cation that is the conjugate acid of (3R)-7,2'-dihydroxy-4'-methoxyisoflavanol, obtained by selective protonation of the 4-hydroxy group. It is a conjugate acid of a (3R)-7,2'-dihydroxy-4'-methoxyisoflavanol.
The molecule O1[C@]23[C@@]4(O)[C@@]([C@@]5([C@@](CC4)(CC6=C5NC7=C6C=8C[C@@]9([C@@](C(=O)C8C=C7)(C(OC9(C)C)(C)C)[H])[H])[H])C)(CC[C@@]3(O[C@@]([C@@H](O)[C@@]12[H])(C(O)(C)C)[H])[H])C O1[C@]23[C@@]4(O)[C@@]([C@@]5([C@@](CC4)(CC6=C5NC7=C6C=8C[C@@]9([C@@](C(=O)C8C=C7)(C(OC9(C)C)(C)C)[H])[H])[H])C)(CC[C@@]3(O[C@@]([C@@H](O)[C@@]12[H])(C(O)(C)C)[H])[H])C is (2S,3R,6S,8S,9R,10R,12S,13S,16S,22R,26R)-9,13-Dihydroxy-8-(2-hydroxypropan-2-yl)-2,3,23,23,25,25-hexamethyl-7,11,24-trioxa-32-azanonacyclo[16.14.0.02,16.03,13.06,12.010,12.019,31.020,28.022,26]dotriaconta-1(18),19(31),20(28),29-tetraen-27-one. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C(CN)CO[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O is a mannooligosaccharide derivative consisting of a D-mannosyl residue beta-linked to a 3-aminopropyl group and which carries an alpha-D-mannosyl-(1->2)-alpha-D-mannosyl-(1->2)-alpha-D-mannosyl unit linked (1->3) and an alpha-D-mannosyl-(1->2)-alpha-D-mannosyl-(1->6)-beta-D-mannosyl unit linked (1->6). It is a mannooligosaccharide derivative and a glycoside.
The molecule [O-][N]N=O [O-][N]N=O is bis(oxidonitrate)(N--N)(.1-). It is also related to or classified as nitrogen oxide , inorganic radical anion .
The molecule O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Fe+3].[Fe+3] is a hydrate that is the monohydrate form of iron(3+) sulfate. It has a role as a mordant, a catalyst and an astringent. It contains an iron(3+) sulfate.
The molecule CCCCCCCCCCCC[C@H]([C@H]([C@H](CO)N)O)O is a sphingoid that is C16 sphinganine bearing an additional 4R-hydroxy substituent. It derives from a hexadecasphing-4-enine. It is a conjugate base of a C16 phytosphingosine(1+).