anonymous041/ChEBI-Augmented huggingface dataset:
The molecule Cc1ccc(cc1)S(=O)(=O)OCCC1CC(C)(C)OC1=O Cc1ccc(cc1)S(=O)(=O)OCCC1CC(C)(C)OC1=O is A butan-4-olide having a 2-(tosyloxy)ethyl group at the 3-position and two methyl substituents at the 5-position.  It is also related to or classified as tosylate ester  . It is also related to or classified as butan-4-olide .
The molecule COc1ccc(cc1OC)[C@@H]1CCc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)cc2O1 COc1ccc(cc1OC)[C@@H]1CCc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)cc2O1 is A  flavan glycoside that is (2S)-flavan substituted by a hydroxy group at position 7, methoxy groups at positions 3' and 4' and a beta-D-glucopyranosyloxy group at position 5 respectively. It has the role of plant metabolite . Its functional parent is (2S)-flavan . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as monosaccharide derivative , hydroxyflavan , methoxyflavan , flavan glycoside .
The molecule [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(COC(=O)\C=C\c3ccc(O)cc3)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](OC(=O)\C=C\c4ccc(O)cc4)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(COC(=O)\C=C\c3ccc(O)cc3)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](OC(=O)\C=C\c4ccc(O)cc4)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O is A pentacyclic triterpenoid  that is the diester obtained by the global condensation of the hydroxy groups of (3beta)-3,27-dihydroxyolean-12-en-28-oic acid with trans-4-coumaric acid. It is isolated from the dried leaves of Ilex asprella and exhibits significant toxicity against KB (epidermoid carcinoma of the nasopharynx) and RPMI-7951 (melanoma) cell lines. It has the role of metabolite . It has the role of antineoplastic agent . Its functional parent is trans-4-coumaric acid . Its functional parent is (3beta)-3,27-dihydroxyolean-12-en-28-oic acid .   It is also related to or classified as diester  . It is also related to or classified as monocarboxylic acid , pentacyclic triterpenoid .
The molecule [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OCC[NH+](CC)CC [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OCC[NH+](CC)CC is A tertiary ammonium ion that is the conjugate acid of 3beta-(2-diethylaminoethoxy)androst-5-en-17-one arising from the protonation of the tertiary amino group. Major microspecies at pH 7.3. It is a conjugate acid of 3beta-(2-diethylaminoethoxy)androst-5-en-17-one . It is also related to or classified as tertiary ammonium ion  .
The molecule CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CC is a phosphatidylcholine O-36:5 in which the alkyl and acyl groups specified at positions 1 and 2 are hexadecyl and (5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl respectively. It is a phosphatidylcholine O-36:5 and a 2-acyl-1-alkyl-sn-glycero-3-phosphocholine. It derives from an all-cis-5,8,11,14,17-icosapentaenoic acid.
The molecule S1C(C(C(=O)O)N2C1C(NC(=O)CC3=CC=CC=C3)C2=O)(C)C.O=CC1(O)C(OC2OC(C(O)C(C2NC)O)CO)C(OC3C(O)C(O)C(N=C(N)N)C(C3N=C(N)N)O)OC1C S1C(C(C(=O)O)N2C1C(NC(=O)CC3=CC=CC=C3)C2=O)(C)C.O=CC1(O)C(OC2OC(C(O)C(C2NC)O)CO)C(OC3C(O)C(O)C(N=C(N)N)C(C3N=C(N)N)O)OC1C is Penicillin-Streptomycin Solution (100X). It is also related to or classified as glycoside  . It is also related to or classified as amino cyclitol .
The molecule CC1=C(C(=O)OC2=C1C=CC(=C2)OC3=NC=CC=N3)CC4=C(C(=NC=C4)NS(=O)(=O)NC)F is a member of the class of coumarins that is 4-methyl-7-[(pyrimidin-2-yl)oxy]coumarin carring an additional [2-[(methylaminosulfonyl)amino]-3-fluoropyridin-4-yl]methyl substituent at position 3. It has a role as an EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor and an antineoplastic agent. It is an aryloxypyrimidine, a member of coumarins, a member of pyridines, an organofluorine compound and a member of sulfamides.
The molecule C[C@@H](OC(=O)c1c(C)c[nH]c1C)C1=CC[C@@]23OCCN(C)C[C@@]12C[C@@H](O)[C@]12O[C@@]4(O)CC[C@@]1(C)[C@H](CC=C32)C4 C[C@@H](OC(=O)c1c(C)c[nH]c1C)C1=CC[C@@]23OCCN(C)C[C@@]12C[C@@H](O)[C@]12O[C@@]4(O)CC[C@@]1(C)[C@H](CC=C32)C4 is Batrachotoxin. It has the role of toxin . It has the role of neurotoxin . It is also related to or classified as steroid  .
The molecule C1=C(C=C(C(=C1O)O)O)[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)O is an optically active form of dihydromyricetin having (2R,3R)-configuration. It has a role as a metabolite, an antioxidant and an antineoplastic agent. It is a secondary alpha-hydroxy ketone and a dihydromyricetin. It is an enantiomer of a (-)-dihydromyricetin.
The molecule C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](CCC[C@@H](N)C(O)=O)NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(O)(=O)OP(O)(=O)OC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@@H]1NC(C)=O)C(O)=O)C(O)=O C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](CCC[C@@H](N)C(O)=O)NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(O)(=O)OP(O)(=O)OC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@@H]1NC(C)=O)C(O)=O)C(O)=O is an undecaprenyldiphospho-N-acetylmuramoyl peptide in which the peptide element is L-alanyl-D-gamma-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine. It is a conjugate acid of undecaprenyldiphospho-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine(4-) . It is also related to or classified as undecaprenyldiphospho-N-acetylmuramoyl peptide .
The molecule C1CC1C#CC2=CC=C(C=C2)[C@H]3[C@H]4CN(CC(=O)N4[C@@H]3CO)C(=O)C5=NC=CN=C5 C1CC1C#CC2=CC=C(C=C2)[C@H]3[C@H]4CN(CC(=O)N4[C@@H]3CO)C(=O)C5=NC=CN=C5 is (6S,7S,8S)-7-[4-(2-cyclopropylethynyl)phenyl]-8-(hydroxymethyl)-4-[oxo(2-pyrazinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule OC[C@H]1O[C@@H](Oc2ccc(c(O)c2)-c2c(O)c3ccc(O)cc3oc2=O)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@@H](Oc2ccc(c(O)c2)-c2c(O)c3ccc(O)cc3oc2=O)[C@H](O)[C@@H](O)[C@@H]1O is A beta-D-glucoside in which a beta-D-glucopyranosyl residue is attached at position 4' of asphodelin A via a glycosidic linkage. It is isolated from the roots of Asphodelus microcarpus and exhibits antimicrobial activity against bacteria like Staphylococcus aureus, Escherichia coli and Pseudomonas aeruginosa and fungal microorganisms like Candida albicans and Botrytis cinerea. It has the role of metabolite . It has the role of antibacterial agent . It has the role of antifungal agent . Its functional parent is asphodelin A . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as polyphenol , hydroxycoumarin .
The molecule O1C(OC2C(O)C(OC3OCC(O)(C)C(C3O)NC)C(N)CC2N)C(N)CCC1C(N)C O1C(OC2C(O)C(OC3OCC(O)(C)C(C3O)NC)C(N)CC2N)C(N)CCC1C(N)C is Gentamicin C2a. It is also related to or classified as glycoside  . It is also related to or classified as amino cyclitol .
The molecule CC1(C=CC2=C3C(=C(C(=C2O1)OC)O)C(=O)C4=C(O3)C(=C(C=C4OC)OC)OC)C is a member of the class of pyranoxanthones that is 3H,7H-pyrano[2,3-c]xanthen-7-one substituted by a hydroxy group at position 6, methoxy groups at positions 5, 8, 10 and 11 and geminal methyl groups at position 3. Isolated from Garcinia rigida, it exhibits cytotoxic activity. It has a role as a metabolite and an antineoplastic agent. It is an aromatic ether, a member of pyranoxanthones and a member of phenols.
The molecule C[C@@H]1[C@H](OC2=CC(=C(C=C12)OC)OC)C3=CC(=C(C=C3)OC)O is a member of the class of 1-benzofurans that is 2,3-dihydro-1-benzofuran substituted by methoxy groups at positions 5 and 6, a methyl group at position 3 and a 3-hydroxy-4-methoxyphenyl group at position 2. It is isolated from Pterocarpus santalinus. It has a role as a plant metabolite. It is a member of 1-benzofurans, a member of phenols and an aromatic ether.
The molecule C[S+](C)CC(O)=O C[S+](C)CC(O)=O is (carboxymethyl)(dimethyl)sulfonium. It is a conjugate acid of (dimethylsulfonio)acetate . It is also related to or classified as sulfonium compound .
The molecule OC[C@H]1O[C@@H](Oc2cccc3C(=O)c4ccccc4C(=O)c23)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@@H](Oc2cccc3C(=O)c4ccccc4C(=O)c23)[C@H](O)[C@@H](O)[C@@H]1O is A monosaccharide derivative that is anthracene-9,10-dione substituted by a beta-D-glucopyranosyloxy group at position 1.  It is also related to or classified as beta-D-glucoside  . It is also related to or classified as anthraquinone , monosaccharide derivative .
The molecule C1=CC(=CC=C1C(=O)N[C@H](CCCN=C(N)N)C(=O)O)OC(=O)C2=CNC3=C2C=CC(=C3)O is a N-acyl-D-amino acid, a D-arginine derivative, a member of guanidines, a heteroarenecarboxylate ester and a member of indoles. It has a role as a metabolite.
The molecule CC(C)OC(=O)NC1=CC(=CC=C1)Cl is a carbamate ester that is the isopropyl ester of 3-chlorophenylcarbamic acid. It has a role as a herbicide and a plant growth retardant. It is a carbamate ester, a member of benzenes and a member of monochlorobenzenes.
The molecule Oc1ccc(c(O)c1)-c1c(O)c2ccc(O)cc2oc1=O Oc1ccc(c(O)c1)-c1c(O)c2ccc(O)cc2oc1=O is A hydroxycoumarin that is 4,7-dihydroxy-2H-chromen-2-one substituted by a 2,4-dihydroxyphenyl group at position 3. It is isolated from the roots of Asphodelus microcarpus and exhibits antimicrobial activity against bacteria like Staphylococcus aureus, Escherichia coli and Pseudomonas aeruginosa and fungal microorganisms like Candida albicans and Botrytis cinerea. It has the role of metabolite . It has the role of antibacterial agent . It has the role of antifungal agent . It is also related to or classified as polyphenol , hydroxycoumarin .
The molecule CC1(C)CC(CCCBr)C(=O)O1 CC1(C)CC(CCCBr)C(=O)O1 is A butan-4-olide having a 3-bromopropyl group at the 3-position and two methyl substituents at the 5-position.  It is also related to or classified as organobromine compound  . It is also related to or classified as butan-4-olide .
The molecule C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)[C@H](C)CO)C)CN(C)CC5=CC6=C(C=C5)OCO6 C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)[C@H](C)CO)C)CN(C)CC5=CC6=C(C=C5)OCO6 is 1-(1,3-benzodioxol-5-yl)-3-[(3R,9R,10S)-9-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCCC/C=C\\CC1C(O1)C/C=C\\C/C=C\\CCCC(=O)OC(CO)CO is a 2-monoglyceride obtained by formal condensation of the carboxy group of 11,12-epoxy-(5Z,8Z,14Z)-icosatrienoic acid with the 2-hydroxy group of glycerol. It has a role as a human xenobiotic metabolite. It is a 2-monoglyceride, an epoxide and a polyunsaturated fatty ester. It derives from an 11,12-EET.
The molecule O=C1N[C@@](OC)(C(=O)N[C@]1(OC)CC2=CC=CC=C2)CC(C)C O=C1N[C@@](OC)(C(=O)N[C@]1(OC)CC2=CC=CC=C2)CC(C)C is Lepistamide C. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule COP(N)(=O)SC COP(N)(=O)SC is an organic thiophosphate resulting from the N-deacylation of the proinsecticide acephate. It has the role of acaricide . It has the role of agrochemical . It has the role of avicide . It is also related to or classified as phosphoramide , organothiophosphate insecticide , organic thiophosphate .
The molecule [H][C@@]12CCCN3CCC=C4[C@H](C[C@H]1O)C(=O)[C@H](C)C[C@@]234 [H][C@@]12CCCN3CCC=C4[C@H](C[C@H]1O)C(=O)[C@H](C)C[C@@]234 is A quinolizidine alkaloid that is lycopodine having a C=C double bond at the 11-position, a keto substituent at the 8-position and the keto group at position 5 replaced by a beta-hydroxy group. Its functional parent is lycopodine . It is also related to or classified as quinolizidine alkaloid .
The molecule C=COC(=O)C1=CC=CC=C1 is an enoate ester obtained by the formal condensation of the carboxy group of benzoic acid with ethenol. Metabolite observed in cancer metabolism. It has a role as a human metabolite.
The molecule CC(OS(C)(=O)=O)C1CC(C)(C)OC1=O CC(OS(C)(=O)=O)C1CC(C)(C)OC1=O is A butan-4-olide having a 1-[(methylsulfonyl)oxy]ethyl group at the 3-position and two methyl substituents at the 5-position.  It is also related to or classified as methanesulfonate ester  . It is also related to or classified as butan-4-olide .
The molecule [H][C@@]12CC(=O)O[C@@H](C)CCC\C=C\[C@]([H])(O1)C=C[C@@H]2O [H][C@@]12CC(=O)O[C@@H](C)CCC\C=C\[C@]([H])(O1)C=C[C@@H]2O is A macrolide that is 4,15-dioxabicyclo[9.3.1]pentadeca-9,12-dien-3-one substituted by a hydroxy group at position 14 and a methyl group at position 5 (the 1S,5S,9E,11R,14S stereoisomer). It is isolated from the marine-derived fungus Aspergillus ostianus and exhibits cytotoxic activity against mouse lymphocytic leukemia cells (L1210). It has the role of antineoplastic agent . It has the role of Aspergillus metabolite . It is also related to or classified as macrolide  . It is also related to or classified as secondary alcohol  . It is also related to or classified as bridged compound , cyclic ether .
The molecule S(=O)(=O)(NC1=CC=C(S(=O)(=O)NC2=NOC(=C2)C)C=C1)C3=CC=C(N)C=C3 S(=O)(=O)(NC1=CC=C(S(=O)(=O)NC2=NOC(=C2)C)C=C1)C3=CC=C(N)C=C3 is N-(4-Aminobenzenesulfonyl) Sulfamethoxazole.  It is also related to or classified as sulfonamide  . It is also related to or classified as benzenes .
The molecule CSCC/C(=C/C(=O)[O-])/C(=O)[O-] is a 2-(omega-methylthio)alkylmaleate(2-) obtained by deprotonation of both carboxy groups of 2-(2-methylthio)ethylmaleic acid; major species at pH 7.3. It is a conjugate base of a 2-(2-methylthio)ethylmaleic acid.
The molecule CC(=CCC/C(=C/CC/C(=C/C(=O)[O-])/C)/C)C is a polyunsaturated fatty acid anion obtained by deprotonation of the carboxy group of (2E,6E)-farnesoic acid; major species at pH 7.3. It is a polyunsaturated fatty acid anion and a methyl-branched fatty acid anion. It is a conjugate base of a (2E,6E)-farnesoic acid.
The molecule C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)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)C(=O)[O-] is a monocarboxylic acid anion resulting from the deprotonation of the carboxy group of steviolbioside. The major species at pH 7.3. It is a conjugate base of a steviolbioside.
The molecule CCCCC/C=C\\C=C\\[C@@H](C/C=C\\C/C=C\\CCCC(=O)O)O is an 11-HETE in which the chiral centre at position 11 has R-configuration. It is a conjugate acid of an 11(R)-HETE(1-). It is an enantiomer of an 11(S)-HETE.
The molecule COC1=CC=C(C=C1)[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)[C@H]4[C@@H](OC5=CC(=CC(=C5C4=O)O)O)C6=CC=C(C=C6)OC is a biflavonoid that consists of two units of 5,7-dihydroxy-4'-methoxyflavanone attached at the C-3 position. Isolated from Stellera chamaejasme, it exhibits antimitotic and antifungal activity. It has a role as an antifungal agent, an antimitotic and a plant metabolite. It is a biflavonoid, a hydroxyflavanone, a ring assembly and a member of 4'-methoxyflavanones.
The molecule CC1(C)CC(CCBr)C(=O)O1 CC1(C)CC(CCBr)C(=O)O1 is A butan-4-olide having a 2-bromoethyl group at the 3-position and two methyl substituents at the 5-position.  It is also related to or classified as organobromine compound  . It is also related to or classified as butan-4-olide .
The molecule S(OC[C@H]1OC(OC[C@H]2O[C@@H](O)[C@H](NC(=O)C)[C@@H](OC3O[C@@H]([C@H](O)[C@H](O)[C@H]3OC4O[C@H]([C@@H](O)[C@@H](O)[C@@H]4O)C)CO)[C@H]2O)[C@H](NC(=O)C)[C@@H](O)[C@@H]1OC5O[C@@H]([C@H](O)[C@H](O)[C@H]5O)CO)(O)(=O)=O S(OC[C@H]1OC(OC[C@H]2O[C@@H](O)[C@H](NC(=O)C)[C@@H](OC3O[C@@H]([C@H](O)[C@H](O)[C@H]3OC4O[C@H]([C@@H](O)[C@@H](O)[C@@H]4O)C)CO)[C@H]2O)[C@H](NC(=O)C)[C@@H](O)[C@@H]1OC5O[C@@H]([C@H](O)[C@H](O)[C@H]5O)CO)(O)(=O)=O is [(2R,3S,4R,5R)-5-Acetamido-6-[[(2R,3R,4R,5R,6R)-5-acetamido-4-[(3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl hydrogen sulfate. It is also related to or classified as carbohydrates and carbohydrate derivatives .
The molecule [H][C@@]12CC[C@H](O)[C@]([H])(CC(=O)O[C@@H](C)CCC\C=C\1)O2 [H][C@@]12CC[C@H](O)[C@]([H])(CC(=O)O[C@@H](C)CCC\C=C\1)O2 is A macrolide that is 4,15-dioxabicyclo[9.3.1]pentadec-9-en-3-one substituted by a hydroxy group at position 14 and a methyl group at position 5 (the 1S,5S,9E,11R,14S stereoisomer). It is isolated from the marine-derived fungus Aspergillus ostianus and exhibits cytotoxic activity against mouse lymphocytic leukemia cells (L1210). It has the role of antineoplastic agent . It has the role of Aspergillus metabolite . It is also related to or classified as macrolide  . It is also related to or classified as secondary alcohol  . It is also related to or classified as bridged compound , cyclic ether .
The molecule C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)(CP(=O)([O-])[O-])[O-])O)O)N=C(NC2=O)N is an organophosphate oxoanion obtained by deprotonation of the phosphate and phosphonate OH groups of guanosine 5'-[beta,gamma-methylene]triphosphate. It is an organophosphate oxoanion and an organophosphonate oxoanion. It is a conjugate base of a guanosine 5'-[beta,gamma-methylene]triphosphate.
The molecule O=C1C2=C(OC=C1C3=CC=C(O)C=C3)C=C(O)C=C2OC4O[C@H]([C@H](O)[C@H]([C@H]4O)O)C O=C1C2=C(OC=C1C3=CC=C(O)C=C3)C=C(O)C=C2OC4O[C@H]([C@H](O)[C@H]([C@H]4O)O)C is Genestein G1. It is also related to or classified as acrovestone  . It is also related to or classified as isoflavonoid .
The molecule CN1C2=CC=CC=C2C=C3C1=C4C=CC=CC4=N3 is an organic heterotetracyclic compound that is 5H-indolo[3,2-b]quinoline in which the hydrogen at position N-5 is replaced by a methyl group. It has a role as an antimalarial, an antineoplastic agent, a plant metabolite, an anti-inflammatory agent and a cysteine protease inhibitor. It is an organic heterotetracyclic compound, an organonitrogen heterocyclic compound and an indole alkaloid.
The molecule CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)C=O CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)C=O is A tripeptide composed of N-acetylleucyl, leucyl and norleucinal residues joined in sequence. It has the role of cysteine protease inhibitor . It is also related to or classified as aldehyde  . It is also related to or classified as tripeptide  .
The molecule C[C@H]([C@H](/C=C/C1=CSC(=N1)C2=CSC(=N2)C(C)/C=C/C=C/C(C)C)OC)/C(=C\\C(=O)N)/OC is a 2,4'-bi-1,3-thiazole substituted at the 4-position with a (1E,3S,4R,5E)-7-amino-3,5-dimethoxy-4-methyl-7-oxohepta-1,5-dien-1-yl] group and at the 2'-position with a (2S,3E,5E)-7-methylocta-3,5-dien-2-yl group. It is an inhibitor of coenzyme Q - cytochrome c reductase. It has a role as a mitochondrial respiratory-chain inhibitor and a metabolite. It is a member of 1,3-thiazoles and a monocarboxylic acid amide.
The molecule CCCCCCCCCCC[C@@H](O)CC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@@H]1NC(C)=O CCCCCCCCCCC[C@@H](O)CC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@@H]1NC(C)=O is A UDP-amino sugar having 3-O-[(3R)-3-hydroxytetradecanoyl]-N-acetyl-alpha-glucosamine as the amino sugar component. Its functional parent is UDP-alpha-D-glucosamine . It is a conjugate acid of UDP-3-O-[(3R)-3-hydroxytetradecanoyl]-N-acetylglucosamine(2-) . It is also related to or classified as UDP-amino sugar .
The molecule [H][C@@]12CC[C@H](O)[C@@]([H])(CC(=O)O[C@@H](C)CCC\C=C\1)O2 [H][C@@]12CC[C@H](O)[C@@]([H])(CC(=O)O[C@@H](C)CCC\C=C\1)O2 is A macrolide that is 4,15-dioxabicyclo[9.3.1]pentadec-9-en-3-one substituted by a hydroxy group at position 14 and a methyl group at position 5 (the 1R,5S,9E,11R,14S stereoisomer). It is isolated from the marine-derived fungus Aspergillus ostianus and exhibits cytotoxic activity against mouse lymphocytic leukemia cells (L1210). It has the role of antineoplastic agent . It has the role of Aspergillus metabolite . It is also related to or classified as macrolide  . It is also related to or classified as secondary alcohol  . It is also related to or classified as bridged compound , cyclic ether .
The molecule [K+].O=C1C([O-])=CC1=O [K+].O=C1C([O-])=CC1=O is Moniliformin potassium salt. It is also related to or classified as enol  . It is also related to or classified as enone  .
The molecule C[C@H]1[C@@H](C[C@H]([C@@H](O1)OCCCCCCCCCCCCCCCCC(=O)[O-])O)O is a hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#30, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of an oscr#30.
The molecule CC1=C(C=C(C=C1N)[N+](=O)[O-])N is a member of the class of amino-nitrotoluenes that is 2,6-diaminotoluene bearing a nitro substituent at position 4. It has a role as a xenobiotic metabolite.
The molecule c1ccc-2c(c1)-c1cccc3c4ccccc4cc-2c13 c1ccc-2c(c1)-c1cccc3c4ccccc4cc-2c13 is an ortho- and peri-fused polycyclic arene that consists of a benzene ring fused with a acephenanthrylene ring. It has the role of mutagen . It is also related to or classified as ortho- and peri-fused polycyclic arene .
The molecule CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O is an unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (13Z,16Z,19Z,22Z,25Z)-3-oxooctacosapentaenoic acid. It is a 3-oxo-fatty acyl-CoA, an unsaturated fatty acyl-CoA and an ultra-long-chain fatty acyl-CoA. It is a conjugate acid of a (13Z,16Z,19Z,22Z,25Z)-3-oxooctacosapentaenoyl-CoA(4-).
The molecule C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@H](NC(C)=O)[C@H](O[C@@H]3[C@@H](CO)OC(OP(O)(=O)OP(O)(=O)OC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@H](NC(C)=O)[C@H]3O)O[C@@H]2C(O)=O)[C@H](O)[C@@H](O)[C@H]1NC(C)=O C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@H](NC(C)=O)[C@H](O[C@@H]3[C@@H](CO)OC(OP(O)(=O)OP(O)(=O)OC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@H](NC(C)=O)[C@H]3O)O[C@@H]2C(O)=O)[C@H](O)[C@@H](O)[C@H]1NC(C)=O is A polyprenyl phospho oligosaccharide where alpha-D-FucNAc4-(1->4)-beta-D-ManNAcA-(1->4)-D-GlcNAc comprises the oligosaccharide component and is linked via a diphosphate to a polyprenyl chain consisting of eleven prenyl units. It is a conjugate acid of alpha-D-FucNAc4-(1->4)-beta-D-ManNAcA-(1->4)-D-GlcNAc-undecaprenyl diphosphate(3-) . It is also related to or classified as polyprenyl phospho oligosaccharide .
The molecule CCC1=CSC(=N1)N2[C@H]([C@@H]([C@@H]2C#N)C3=CC=C(C=C3)C4=CCCC4)CO CCC1=CSC(=N1)N2[C@H]([C@@H]([C@@H]2C#N)C3=CC=C(C=C3)C4=CCCC4)CO is (2R,3R,4R)-3-[4-(1-cyclopentenyl)phenyl]-1-(4-ethyl-2-thiazolyl)-4-(hydroxymethyl)-2-azetidinecarbonitrile. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule OC(=O)c1ccc2C(=O)C3=C(C(=O)c2n1)S(=O)(=O)C=CN3 OC(=O)c1ccc2C(=O)C3=C(C(=O)c2n1)S(=O)(=O)C=CN3 is an organic heterotricyclic compound, that is 5,10-dioxo-5,10-dihydro-1H-[1,4]thiazino[3,2-g]quinoline 4,4-dioxide substituted at position 7 by a carboxy group. It is an anti-inflmmatory alkaloid obtained from Aplidium. It has the role of metabolite . It has the role of anti-inflammatory agent . It is also related to or classified as alkaloid  .    It is also related to or classified as sulfone  . It is also related to or classified as monocarboxylic acid , p-quinones , organic heterotricyclic compound .
The molecule ClC1=C(OC)C=C2CC(=CC=CC(OC)C3(O)NC(OC(C(C4C(C(CC(N(C1=C2)C)=O)OC(=O)CCC)(O4)C)C)C3)=O)C ClC1=C(OC)C=C2CC(=CC=CC(OC)C3(O)NC(OC(C(C4C(C(CC(N(C1=C2)C)=O)OC(=O)CCC)(O4)C)C)C3)=O)C is Ansamitocin P 3'. It is also related to or classified as keratan 6'-sulfate , azamacrocycle .
The molecule C[C@]12CC[C@H]3[C@H]([C@@H]1[C@H](CC2=O)O)CCC4=C3C=CC(=C4)O is a 17-oxo steroid that is estrone substituted by an alpha-hydroxy group at position 15. It has a role as a human xenobiotic metabolite and a fungal xenobiotic metabolite. It is a 15alpha-hydroxy steroid, a 17-oxo steroid, a 3-hydroxy steroid and a member of phenols. It derives from an estrone. It derives from a hydride of an estrane.