anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@H]([C@@H](CN(C2=O)C)OC)C)C(=O)C3CCC3)C CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@H]([C@@H](CN(C2=O)C)OC)C)C(=O)C3CCC3)C is N-[(4S,7R,8S)-5-[cyclobutyl(oxo)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCOP(=S)(OC1=CN=C(N=C1)C(C)(C)C)OC(C)C is an organic thiophosphate and an organothiophosphate insecticide. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor. It derives from a 2-tert-butylpyrimidin-5-ol.
The molecule [H][C@@]12C[C@]3(CC[C@@H]1O)C(C)(C)CCC(=O)[C@@]3(C)OO2 [H][C@@]12C[C@]3(CC[C@@H]1O)C(C)(C)CCC(=O)[C@@]3(C)OO2 is Steperoxide A. It has the role of metabolite . It is also related to or classified as cyclohexanones .
The molecule CC1=C(C=CC(=C1)Cl)O[C@@H](C)C(=O)[O-] is a monocarboxylic acid anion that is the conjugate base of (S)-2-(4-chloro-2-methylphenoxy)propanoic acid, obtained by deprotonation of the carboxy group. It is a conjugate base of a (S)-mecoprop. It is an enantiomer of a (R)-2-(4-chloro-2-methylphenoxy)propanoate.
The molecule CC(C)(C)C1=CC=C(C=C1)CN(C)CC2=CC=CC3=CC=CC=C32.Cl is the hydrochloride salt of butenafine. An inhibitor of squalene epoxidase, an enzyme responsible for the creation of sterols needed in fungal cell membranes, it is used for treatment of dermatological fungal infections. It has a role as an EC 1.14.13.132 (squalene monooxygenase) inhibitor and an antifungal drug. It is a hydrochloride and an ammonium salt. It contains a butenafine.
The molecule C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)N(C[C@@H]1OC)C)C C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)N(C[C@@H]1OC)C)C is N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzodioxole-5-carboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [H][C@]12O[C@@]1(COC(=O)CCCCCCCCCCCCCCC)[C@@H](O)[C@]1(O)[C@@H](OC(=O)C(C)C(C)C)C(C)=C[C@@]11[C@H](C)C[C@]3(OC(=O)CCCCCCCCCCC)[C@]([H])([C@@]2([H])C1=O)C3(C)C [H][C@]12O[C@@]1(COC(=O)CCCCCCCCCCCCCCC)[C@@H](O)[C@]1(O)[C@@H](OC(=O)C(C)C(C)C)C(C)=C[C@@]11[C@H](C)C[C@]3(OC(=O)CCCCCCCCCCC)[C@]([H])([C@@]2([H])C1=O)C3(C)C is A tetracyclic diterpenoid that is 6,7-epoxy-13-hydroxyingenol in which the hydroxy groups at positions 3, 13 and 20 are esterified by 2,3-dimethylbutyric acid, lauric acid and palmitic acid. Isolated from the roots of Euphorbia kansui, it exhibits anti-cancerous activity. It has the role of metabolite . It has the role of antineoplastic agent . Its functional parent is hexadecanoic acid . Its functional parent is dodecanoic acid . Its functional parent is 2,3-dimethylbutyric acid . Its functional parent is ingenol .   It is also related to or classified as dodecanoate ester  . It is also related to or classified as fatty acid ester  . It is also related to or classified as cyclic terpene ketone , tetracyclic diterpenoid .
The molecule C(CCCCCCC/C=C\CCCC)(=O)N C(CCCCCCC/C=C\CCCC)(=O)N is A primary fatty amide resulting from the formal condensation of the carboxy group of myristoleic acid with ammonia. Its functional parent is myristoleic acid . It is also related to or classified as primary fatty amide  .
The molecule C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)[O-])O)O)O is a monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of etiocholanolone 3-glucuronide. It has a role as a human blood serum metabolite, a human urinary metabolite, a human xenobiotic metabolite and a marine xenobiotic metabolite. It is a carbohydrate acid derivative anion and a monocarboxylic acid anion. It is a conjugate base of an etiocholanolone 3-glucuronide.
The molecule CC1(C)CCC(=O)[C@@]2(C)OO[C@H]3C[C@@]12CC[C@]3(O)CO CC1(C)CCC(=O)[C@@]2(C)OO[C@H]3C[C@@]12CC[C@]3(O)CO is Merulin D. It has the role of metabolite . It is also related to or classified as sesquiterpenoid .
The molecule C[C@]12CC[C@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4C[C@](C[C@@H]5O)(C)C(=O)O)C)C)C)(C)C)O is a pentacyclic triterpenoid with formula C30H48O4, originally isolated from Tripterygium wilfordii and Tripterygium hypoglaucum. It has a role as a plant metabolite. It is a pentacyclic triterpenoid, a hydroxy monocarboxylic acid and a diol. It derives from a hydride of an oleanane.
The molecule C[C@H]1C[C@H](C(=O)/C=C/[C@]([C@H](OC(=O)[C@@H]([C@H]1O[C@H]2[C@@H]([C@H](C[C@H](O2)C)[NH+](C)C)O)C)[C@@H](C)O)(C)O)C is an organic cation that is the conjugate acid of novamethymycin, obtained by protonation of the tertiary amino group; major species at pH 7.3. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of a novamethymycin.
The molecule C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F is 4,4,4-trifluoro-N-[[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [H][C@]12C=C(COC(=O)CCCCCCCCCCCCCCC)[C@@H](O)[C@]3(O)[C@@H](OC(=O)C(C)C(C)C)C(C)=C[C@]3([C@H](C)C[C@]3(OC(=O)CCCCCCCCCCC)[C@@]1([H])C3(C)C)C2=O [H][C@]12C=C(COC(=O)CCCCCCCCCCCCCCC)[C@@H](O)[C@]3(O)[C@@H](OC(=O)C(C)C(C)C)C(C)=C[C@]3([C@H](C)C[C@]3(OC(=O)CCCCCCCCCCC)[C@@]1([H])C3(C)C)C2=O is A tetracyclic diterpenoid that is 13-hydroxyingenol in which the hydroxy groups at positions 3, 13 and 20 are esterified by 2,3-dimethylbutyric acid, lauric acid and palmitic acid. Isolated from the roots of Euphorbia kansui, it exhibits anti-cancerous activity. It has the role of metabolite . It has the role of antineoplastic agent . Its functional parent is hexadecanoic acid . Its functional parent is dodecanoic acid . Its functional parent is 2,3-dimethylbutyric acid . Its functional parent is ingenol .   It is also related to or classified as dodecanoate ester  . It is also related to or classified as fatty acid ester  . It is also related to or classified as cyclic terpene ketone , tetracyclic diterpenoid .
The molecule OC(=O)\C=C/C(Cl)=C\C(O)=O OC(=O)\C=C/C(Cl)=C\C(O)=O is A 3-chloromuconic acid that is cis,cis-muconic acid substituted by a chloro substituent at position 3. Its functional parent is cis,cis-muconic acid . It is a conjugate acid of 3-chloro-cis,cis-muconate(2-) . It is also related to or classified as 3-chloromuconic acid  .
The molecule C([C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)N)C(=O)O is a dipeptide formed from two L-aspartic acid units. It has a role as a Mycoplasma genitalium metabolite. It derives from a L-aspartic acid.
The molecule C(CC(O)=O)C(O)=O.O(CC(CNC(C)C)O)C1=CC=C(C=C1)CCOC.O(CC(CNC(C)C)O)C1=CC=C(C=C1)CCOC C(CC(O)=O)C(O)=O.O(CC(CNC(C)C)O)C1=CC=C(C=C1)CCOC.O(CC(CNC(C)C)O)C1=CC=C(C=C1)CCOC is Metoprolol succinate. It is also related to or classified as alcohol  . It is also related to or classified as phenols  .
The molecule C[C@H](CCC(=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)[C@H]4CC[C@@H]5[C@@]4(CC[C@H]6[C@H]5[C@H]([C@H]([C@H]7[C@@]6(CC[C@H](C7)O)C)O)O)C is a member of the class of choloyl-CoAs that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of beta-muricholic acid. It derives from a beta-muricholic acid. It is a conjugate acid of a beta-muricholoyl-CoA(4-).
The molecule O([C@@H]1[C@@H](O)[C@@H](O[C@@H]([C@@H]1O)CO)O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@@H]2CO)O)[C@H]3O[C@@H]([C@@H](O[C@@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3NC(=O)C)CO O([C@@H]1[C@@H](O)[C@@H](O[C@@H]([C@@H]1O)CO)O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@@H]2CO)O)[C@H]3O[C@@H]([C@@H](O[C@@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3NC(=O)C)CO is an amino tetrasaccharide consisting of beta-D-galactopyranosyl, 2-acetamido-2-deoxy-alpha-D-glucopyranosyl, beta-D-galactopyranosyl and alpha-D-glucopyranose residues joined in sequence by (1->4), (1->3) and (1->4) glycosidic linkages. It is also related to or classified as acetamides , amino tetrasaccharide .
The molecule CC(C\C=C\C=C/CCC(=C)CC(C)C\C(C)=C\C(O)=O)CC(=O)CC(O)CNC(=O)CC(C)OC(N)=O CC(C\C=C\C=C/CCC(=C)CC(C)C\C(C)=C\C(O)=O)CC(=O)CC(O)CNC(=O)CC(C)OC(N)=O is A fatty acid derivative isolated from the fermentation broth of Alcaligenes sp. YL-02632S. It is an antibiotic with antibacterial activity. It has the role of antimicrobial agent . It has the role of antibacterial agent . It has the role of bacterial metabolite .   It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as carbamate ester , monocarboxylic acid , fatty acid derivative .
The molecule CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@@]3(C[C@@H]([C@H]([C@@H](O3)[C@@H]([C@@H](CO)O[C@@]4(C[C@@H]([C@H]([C@@H](O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)[O-])O)NC(=O)C)O)C(=O)[O-])O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O is an anionic ganglioside obtained by deprotonation of the neuraminosyl carboxy groups of ganglioside GD3 (d18:1/C18:0); major species at pH 7.3. It is an anionic ganglioside and a ganglioside GD3(2-). It is a conjugate base of an alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer(d18:1/18:0).
The molecule [H][C@@]12C[C@]3(CC[C@]1(O)CO)C(C)(C)C=CC(=O)[C@@]3(C)OO2 [H][C@@]12C[C@]3(CC[C@]1(O)CO)C(C)(C)C=CC(=O)[C@@]3(C)OO2 is Merulin C, (rel)-. It has the role of metabolite . It is also related to or classified as sesquiterpenoid .
The molecule C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C)C(=O)N(C[C@H]1OC)C)C)CC4=NC=CS4 C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C)C(=O)N(C[C@H]1OC)C)C)CC4=NC=CS4 is N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-thiazolylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-methylbenzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCN(C)C[C@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3)O[C@H](CCCCO1)C)[C@H](C)CO)C CCCN(C)C[C@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3)O[C@H](CCCCO1)C)[C@H](C)CO)C is N-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCOC(=O)C1=CC2=C(N1CC(=O)NCC3=CC=C(C=C3)F)C=C(S2)C CCOC(=O)C1=CC2=C(N1CC(=O)NCC3=CC=C(C=C3)F)C=C(S2)C is 4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-methyl-5-thieno[3,2-b]pyrrolecarboxylic acid ethyl ester. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound , organosulfur heterocyclic compound .
The molecule CCCCCCCC/C=C\\CCCCCCCC(=O)NCCOP(=O)([O-])OC[C@@H](COC(=O)CCCCCCC/C=C\\CCCCCCCC)O is an N-acyllysophosphatidylethanolamine(1-) in which both the N- and O-acyl group are specified as oleoyl (9Z-octadecenoyl); major species at pH 7.3. It is a conjugate base of a N,1-dioleoyl-sn-glycero-3-phosphoethanolamine.
The molecule CC(C\C=C\C=C\CCC(=C)CC(C)C\C(C)=C\C(O)=O)CC(=O)CC(O)CNC(=O)C(C)C(C)OC(N)=O CC(C\C=C\C=C\CCC(=C)CC(C)C\C(C)=C\C(O)=O)CC(=O)CC(O)CNC(=O)C(C)C(C)OC(N)=O is A fatty acid derivative isolated from the fermentation broth of Alcaligenes sp. YL-02632S. It is an antibiotic with antibacterial activity. It has the role of antimicrobial agent . It has the role of antibacterial agent . It has the role of bacterial metabolite . It is also related to or classified as secondary carboxamide  . It is also related to or classified as carbamate ester , fatty acid derivative , alpha,beta-unsaturated monocarboxylic acid .
The molecule O=C(N)CCCC/C=C\CCCCCCCCCCC O=C(N)CCCC/C=C\CCCCCCCCCCC is A primary fatty amide resulting from the formal condensation of the carboxy group of petroselinic acid with ammonia. Its functional parent is petroselinic acid . It is also related to or classified as primary fatty amide  .
The molecule C1=CC(=CC=C1SCC(=O)C(=O)O)Br is a 2-oxo monocarboxylic acid comprising pyruvic acid having a 4-bromophenylsulfanyl group attached at the 3-position. It is a 2-oxo monocarboxylic acid, an aryl sulfide and an organobromine compound. It derives from a pyruvic acid and a bromobenzene. It is a conjugate acid of a (4-bromophenylsulfanyl)pyruvate.
The molecule CC1(C)CCC(=O)[C@@]2(C)OO[C@H]3C[C@@]12CC[C@@]3(O)CO CC1(C)CCC(=O)[C@@]2(C)OO[C@H]3C[C@@]12CC[C@@]3(O)CO is Merulin B, (rel)-. It has the role of metabolite . It is also related to or classified as sesquiterpenoid .
The molecule C[C@H](CCCCCC[C@H](CC(=O)O)O)O is an (omega-1)-hydroxy fatty acid that is (10R)-10-hydroxyundecanoic acid in which the 3-pro-R hydrogen is replaced by a hydroxy group. It is an (omega-1)-hydroxy fatty acid, a 3-hydroxy carboxylic acid, a medium-chain fatty acid and a dihydroxy monocarboxylic acid. It derives from a (10R)-10-hydroxyundecanoic acid.
The molecule C[C@@H](C[C@@H](CC(=O)O)N)N is a chiral diamino acid consisting of hexanoic acid having amino substituents at the 3- and 5-positions and (S,S)-configuration. It is a beta-amino acid and a diamino acid. It derives from a hexanoic acid. It is a conjugate base of a (3S,5S)-3,5-diammoniohexanoate. It is a conjugate acid of a (3S,5S)-3,5-diaminohexanoate.
The molecule CC(C\C=C\C=C/CCC(=C)CC(C)C\C(C)=C\C(O)=O)CC(=O)CC(O)CNC(=O)C(C)C(C)OC(N)=O CC(C\C=C\C=C/CCC(=C)CC(C)C\C(C)=C\C(O)=O)CC(=O)CC(O)CNC(=O)C(C)C(C)OC(N)=O is A  fatty acid derivative isolated from the fermentation broth of Alcaligenes sp. YL-02632S. It is an antibiotic with antibacterial activity. It has the role of antimicrobial agent . It has the role of antibacterial agent . It has the role of bacterial metabolite .   It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as carbamate ester , monocarboxylic acid , fatty acid derivative .
The molecule C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)CC3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C)C C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)CC3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C)C is N-[(5R,6R,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-phenylacetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O is a dihydroxyanthraquinone that is anthracene-9,10-dione substituted by hydroxy groups at positions 1 and 8. It has a role as an apoptosis inducer and a plant metabolite.
The molecule CC1(C)CCC(=O)[C@@]2(C)OO[C@H]3C[C@@]12CC[C@H]3O CC1(C)CCC(=O)[C@@]2(C)OO[C@H]3C[C@@]12CC[C@H]3O is Merulin A, (rel)-. It has the role of metabolite . It is also related to or classified as cyclohexanones .
The molecule C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)N(C[C@@H]1OC)C)C)C C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)N(C[C@@H]1OC)C)C)C is 4-chloro-N-[(4R,7S,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=C4C=CC(=C(C4=O)C)C)NN3 CCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=C4C=CC(=C(C4=O)C)C)NN3 is 5-(4,5-dimethyl-6-oxo-1-cyclohexa-2,4-dienylidene)-N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,2-dihydropyrazole-3-carboxamide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C=1C(=CC=C(C1)O)[C@@H](C=C)/C=C/C2=CC=C(C=C2)O C=1C(=CC=C(C1)O)[C@@H](C=C)/C=C/C2=CC=C(C=C2)O is A 1,3-bis(p-hydroxyphenyl)pentane-1,4-diene that has 1E,3S configuration. A natural product found in Chamaecyparis obtusa. It has the role of metabolite . It is also related to or classified as 1,3-bis(p-hydroxyphenyl)pentane-1,4-diene  . It is also related to or classified as norlignan .
The molecule CC(=O)NCCC1=C(NC2=C1C=C(C=C2)OC)O is a member of the class of hydroxyindoles that is melatonin in which the hydrogen at position 2 of the indole ring has been replaced by a hydroxy group. A predominant hydroxylated melatonin metabolite in plants. It has a role as a plant metabolite, an antineoplastic agent and an apoptosis inducer. It is a member of acetamides, a member of tryptamines and a member of hydroxyindoles. It derives from a melatonin.
The molecule C[C@@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(-c2ccc(O)cc2)c(O)c3=O)[C@H](OC(=O)\C=C\c2ccc(O)cc2)[C@H](O)[C@H]1O C[C@@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(-c2ccc(O)cc2)c(O)c3=O)[C@H](OC(=O)\C=C\c2ccc(O)cc2)[C@H](O)[C@H]1O is A glycosyloxyflavone that consists of kaempferol attached to a 2-E-p-coumaroyl-alpha-L-rhamnopyranosyl moiety at position 7 via a glycosidic linkage. Isolated from the flowers and fruits of Tetrapanax papyriferus, it exhibits antineoplastic activity. It has the role of metabolite . It has the role of antineoplastic agent . Its functional parent is trans-4-coumaric acid .  It is also related to or classified as glycosyloxyflavone  . It is also related to or classified as cinnamate ester , monosaccharide derivative .
The molecule C(CCC(=N)N)C[C@@H](C(=O)O)N is an alpha-amino acid that is 2,7-diaminoheptanoic acid substituted by a imino group at position 7 (the 2S stereoisomer). It has a role as a hepatotoxic agent and a plant metabolite. It is a carboxamidine and a non-proteinogenic L-alpha-amino acid.
The molecule [H][C@]12O[C@@]11[C@@](C)(CC[C@]3([H])[C@@]4(C)C=CC(=O)OC(C)(C)[C@]4([H])C[C@@H](OC(C)=O)[C@@]13C)[C@H](OC2=O)c1ccoc1 [H][C@]12O[C@@]11[C@@](C)(CC[C@]3([H])[C@@]4(C)C=CC(=O)OC(C)(C)[C@]4([H])C[C@@H](OC(C)=O)[C@@]13C)[C@H](OC2=O)c1ccoc1 is 7alpha-Obacunyl acetate. It has the role of metabolite . It is also related to or classified as limonoid .
The molecule CCCN(C)C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC(C)C)O[C@@H](CCCCO1)C)[C@@H](C)CO)C CCCN(C)C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC(C)C)O[C@@H](CCCCO1)C)[C@@H](C)CO)C is 1-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC is a diester resulting from the formal condensation of the carboxy groups of adipic acid with 2-ethylhexan-1-ol. It is used as a plasticiser in the preparation of various polymers. It has a role as a plasticiser. It is a diester, a carboxylic ester and a member of dicarboxylic acids and O-substituted derivatives. It derives from a 2-ethylhexan-1-ol and an adipic acid.
The molecule CC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC[C@H](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)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 (3R,8Z,11Z,14Z,17Z)-3-hydroxyicosatetraenoic acid. It is a (R)-3-hydroxyacyl-CoA, a 3-hydroxy fatty acyl-CoA, a long-chain fatty acyl-CoA and an unsaturated fatty acyl-CoA. It is a conjugate acid of a (3R,8Z,11Z,14Z,17Z)-3-hydroxyicosatetraenoyl-CoA(4-).
The molecule CC(C)C[C@@H](C(=O)NCC(=O)NCC(=O)O)N is a tripeptide composed of one L-leucine and two glycine residues joined in sequence. It has a role as a metabolite.
The molecule C[C@@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(-c2ccc(O)cc2)c(O)c3=O)[C@H](OC(=O)\C=C\c2ccc(O)cc2)[C@H](OC(=O)\C=C\c2ccc(O)cc2)[C@H]1O C[C@@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(-c2ccc(O)cc2)c(O)c3=O)[C@H](OC(=O)\C=C\c2ccc(O)cc2)[C@H](OC(=O)\C=C\c2ccc(O)cc2)[C@H]1O is A glycosyloxyflavone that consists of kaempferol attached to a 2,3-di-E-p-coumaroyl-alpha-L-rhamnopyranosyl moiety at position 7. Isolated from the flowers and fruits of  Tetrapanax papyriferus, it exhibits antineoplastic activity. It has the role of metabolite . It has the role of antineoplastic agent . Its functional parent is trans-4-coumaric acid .  It is also related to or classified as glycosyloxyflavone  . It is also related to or classified as cinnamate ester , monosaccharide derivative .
The molecule CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@@H]6CCC(=O)N6.CC(=O)O is an acetate salt obtained by combining the nonapeptide leuprolide with acetic acid. A long lasting GnRH analog, LH-Rh agonist. It is a synthetic nonapeptide analogue of gonadotropin-releasing hormone, and is used as a subcutaneous hydrogel implant for the treatment of prostate cancer and for the suppression of gonadal sex hormone production in children with central precocious puberty. It has a role as an antineoplastic agent and a gonadotropin releasing hormone agonist. It contains a leuprolide.
The molecule COc1cc2n(C)c3c(O)cccc3c(=O)c2c(O)c1OC COc1cc2n(C)c3c(O)cccc3c(=O)c2c(O)c1OC is 1,5-Dihydroxy-2,3-dimethoxy-10-methyl-9-acridone. It has the role of metabolite . Its functional parent is acridone . It is also related to or classified as acridines .
The molecule NC(CCCCCCCCCCCCC/C=C\CCCCCCCC)=O NC(CCCCCCCCCCCCC/C=C\CCCCCCCC)=O is A primary fatty amide resulting from the formal condensation of the carboxy group of (15Z)-tetracosenoic acid with ammonia. Its functional parent is (15Z)-tetracosenoic acid . It is also related to or classified as primary fatty amide  .
The molecule C1C=CN(C=C1C(=O)N)[C@@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O is an organophosphate oxoanion obtained by deprotonation of the two diphosphate OH groups of alpha-NADH; major species at pH 7.3. It is a conjugate base of an alpha-NADH.
The molecule CC[C@](C)(C(=O)C(=O)[O-])O is the conjugate base of (R)-3-hydroxy-3-methyl-2-oxopentanoic acid and R enantiomer of 3-hydroxy-3-methyl-2-oxopentanoate. It is a conjugate base of a (R)-3-hydroxy-3-methyl-2-oxopentanoic acid. It is an enantiomer of a (S)-3-hydroxy-3-methyl-2-oxopentanoate.
The molecule [H][C@]1(O[C@H](COC(=O)\C=C\c2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1[C@@H](O[C@@H](C)[C@H](O)[C@H]1O)Oc1c(oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c2c1=O)-c1ccc(O)cc1 [H][C@]1(O[C@H](COC(=O)\C=C\c2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1[C@@H](O[C@@H](C)[C@H](O)[C@H]1O)Oc1c(oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c2c1=O)-c1ccc(O)cc1 is A kaempferol O-glucoside that consists of kaempferol attached to a alpha-L-[6'''-p-coumaroyl-beta-D-glucopyranosyl-(1->2)-rhamnopyranosyl] moiety at position 3 and a beta-D-glucopyranosyl moiety at position 7 via glycosidic linkages. Isolated from Ginkgo biloba and Mentha lavandulacea, it exhibits antioxidant activity. It has the role of antioxidant . It has the role of metabolite . Its functional parent is trans-4-coumaric acid . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as cinnamate ester , kaempferol O-glucoside .
The molecule COC(=O)NC1=NC2=CC=CC=C2N1 is a member of the class of benzimidazoles that is 2-aminobenzimidazole in which the primary amino group is substituted by a methoxycarbonyl group. A fungicide, carbendazim controls Ascomycetes, Fungi Imperfecti, and Basidiomycetes on a wide variety of crops, including bananas, cereals, cotton, fruits, grapes, mushrooms, ornamentals, peanuts, sugarbeet, soybeans, tobacco, and vegetables. It has a role as an antinematodal drug, a metabolite, a microtubule-destabilising agent and an antifungal agrochemical. It is a carbamate ester, a member of benzimidazoles, a benzimidazole fungicide and a benzimidazolylcarbamate fungicide. It derives from a 2-aminobenzimidazole.