anonymous041/ChEBI-Augmented huggingface dataset:
The molecule COc1c(O)c(O)c-2c(COc3cc(\C=C\C)oc(=O)c-23)c1C=O COc1c(O)c(O)c-2c(COc3cc(\C=C\C)oc(=O)c-23)c1C=O is an organic heterotricyclic compound that is 1H,6H-pyrano[4,3-c]isochromene-7-carbaldehyde substituted by hydroxy groups at positions 9 and 10, methoxy group at position 8, oxo group at position 1 and a propenyl group at position 3. It is isolated from the fermented mushroom Cyathus stercoreus and exhibits radical scavenging activities. It has the role of radical scavenger . It has the role of fungal metabolite . It is also related to or classified as delta-lactone  . It is also related to or classified as polyketide  .   It is also related to or classified as arenecarbaldehyde  . It is also related to or classified as polyphenol , organic heterotricyclic compound , aromatic ether , cyclic ether .
The molecule CC(=CC1C(C1(C)C)C(=O)OCC2=COC(=C2)CC3=CC=CC=C3)C is a member of furans and a cyclopropanecarboxylate ester. It has a role as a pyrethroid ester insecticide and an agrochemical. It derives from a chrysanthemic acid.
The molecule C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)CC3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C)C(=O)C C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)CC3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C)C(=O)C is N-[(4S,7R,8S)-5-acetyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-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 CCCCc1ccc(CCNC(=O)\C=C\c2ccc(O)c(OC)c2)cc1 CCCCc1ccc(CCNC(=O)\C=C\c2ccc(O)c(OC)c2)cc1 is an enamide obtained by the formal condensation of ferulic acid with 2-(4-butylphenyl)ethanamine. It is isolated from Cuscuta reflexa and displays strong inhibitory activity against alpha-glucosidase (EC 3.2.1.20). It has the role of EC 3.2.1.20 (alpha-glucosidase) inhibitor . It has the role of plant metabolite . Its functional parent is trans-ferulic acid . It is also related to or classified as guaiacols  . It is also related to or classified as secondary carboxamide  . It is also related to or classified as enamide  .
The molecule [N-]=[N+]=CC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC1=CC=CC=C1 [N-]=[N+]=CC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC1=CC=CC=C1 is A diazo compound that is L-phenylalanyl-L-phenylalanine in which the amino group is protected by a (benzyloxy)carbonyl group and the carboxy group is substituted by a diazoacetyl group. It is a cathepsin L inhibitor. It has the role of cathepsin L (EC 3.4.22.15) inhibitor . It is also related to or classified as secondary carboxamide  . It is also related to or classified as carboxylic ester  . It is also related to or classified as diazo compound , L-phenylalanine derivative .
The molecule C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(CO)O)CCC4=CC(=O)CC[C@]34C is a 3-oxo Delta(4)-steroid that is pregn-4-en-3-one carrying two hydroxy substituents at positions 20 and 21. It has a role as a bacterial xenobiotic metabolite, an Escherichia coli metabolite and an EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor. It is a 3-oxo-Delta(4) steroid, a 20-hydroxy steroid and a 21-hydroxy steroid. It derives from a hydride of a pregnane.
The molecule OC[C@H]1O[C@@H](O[C@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O OC[C@H]1O[C@@H](O[C@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O is A beta-D-galactopyranosyl-(1->4)-D-galactopyranose with a beta-configuration at the reducing-end anomeric centre. It has the role of bacterial metabolite . It is also related to or classified as beta-D-galactopyranosyl-(1->4)-D-galactopyranose  .
The molecule COc1ccc(CCNC(=O)\C=C\c2ccc(O)c(O)c2)cc1 COc1ccc(CCNC(=O)\C=C\c2ccc(O)c(O)c2)cc1 is an enamide obtained by the formal condensation of 4-methoxyphenylethylamine with trans-caffeic acid. It is isolated from Cuscuta reflexa and displays strong inhibitory activity against alpha-glucosidase (EC 3.2.1.20). It has the role of metabolite . It has the role of EC 3.2.1.20 (alpha-glucosidase) inhibitor . Its functional parent is trans-caffeic acid . Its functional parent is 4-methoxyphenylethylamine . It is also related to or classified as secondary carboxamide  .  It is also related to or classified as catechols  . It is also related to or classified as enamide  . It is also related to or classified as monomethoxybenzene .
The molecule C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)F)C(=O)N(C[C@H]1OC)C)C)C(=O)C4=NC=CN=C4 C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)F)C(=O)N(C[C@H]1OC)C)C)C(=O)C4=NC=CN=C4 is 1-(4-fluorophenyl)-3-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[oxo(2-pyrazinyl)methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCC(=O)O[C@@H]1[C@@H]([C@@H]([C@H](C2=CC(=C(C(=C2C3=C(C4=C(C=C13)OCO4)OC)OC)OC)OC)OC(=O)C)C)C is a lignan with a dibenzocyclooctadiene skeleton isolated from Kadsura ananosma. It has a role as a plant metabolite. It is an acetate ester, an aromatic ether, a lignan, an organic heterotetracyclic compound, an oxacycle and a propanoate ester.
The molecule C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CCCC3)C(=O)N(C[C@@H]1OC)C)C)C(=O)CC4CC4 C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CCCC3)C(=O)N(C[C@@H]1OC)C)C)C(=O)CC4CC4 is N-[(5R,6R,9R)-8-(2-cyclopropyl-1-oxoethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopentanecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC(O)CC(=O)Oc1c(OC(=O)CCc2ccccc2)c(-c2ccc(O)cc2)c(OC(C)=O)c(OC(C)=O)c1-c1ccc(O)cc1 CC(O)CC(=O)Oc1c(OC(=O)CCc2ccccc2)c(-c2ccc(O)cc2)c(OC(C)=O)c(OC(C)=O)c1-c1ccc(O)cc1 is A para-terphenyl that consists of 1,4-diphenylbenzene substituted by acetyloxy groups at positions 5' and 6', hydroxy groups at positions 4 and 4'', a (3-phenylpropanoyl)oxy group at position 3' and a (3-hydroxybutanoyl)oxy group at position 2'. It is isolated from the fruit body of the mushroom Paxillus curtisii and exhibits radical scavenging activity. It has the role of metabolite . It has the role of radical scavenger . Its functional parent is 3-hydroxybutyric acid . It is also related to or classified as phenols  . It is also related to or classified as acetate ester  . It is also related to or classified as para-terphenyl .
The molecule S(OC=1C=C2O[C@@H]([C@H](O)CC2=C(O)C1)C3=CC(OC)=C(O)C=C3)(O)(=O)=O S(OC=1C=C2O[C@@H]([C@H](O)CC2=C(O)C1)C3=CC(OC)=C(O)C=C3)(O)(=O)=O is 3'-methylepicatechin-7-sulfate. Its functional parent is (-)-epicatechin . It is also related to or classified as catechin  .
The molecule CCCCCCCCCCCCCCCCCCCCCCCCCCC/C=C/C(=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 a 2,3-trans-enoyl CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of trans-2-triacontenoyl-CoA; major species at pH 7.3. It is a conjugate base of a trans-2-triacontenoyl-CoA.
The molecule CC(O)CC(=O)Oc1c(OC(=O)CC(C)OC(C)=O)c(-c2ccc(O)cc2)c(OC(C)=O)c(OC(=O)CC(C)OC(C)=O)c1-c1ccc(O)cc1 CC(O)CC(=O)Oc1c(OC(=O)CC(C)OC(C)=O)c(-c2ccc(O)cc2)c(OC(C)=O)c(OC(=O)CC(C)OC(C)=O)c1-c1ccc(O)cc1 is A para-terphenyl that consists of 1,4-diphenylbenzene substituted by acetyloxy group at position 3', hydroxy groups at positions 4 and 4'' a (3-hydroxybutanoyl)oxy group at position 6' and [3-(acetyloxy)butanoyl]oxy groups at positions 2' and 5' respectively. It is isolated from the fruit body of the mushroom Paxillus curtisii and exhibits radical scavenging activity. It has the role of metabolite . It has the role of radical scavenger . Its functional parent is 3-hydroxybutyric acid . It is also related to or classified as phenols  . It is also related to or classified as acetate ester  . It is also related to or classified as para-terphenyl .
The molecule C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(O)O[C@H]4C[C@@H](O[C@@H]4COP(=O)(O)O[C@H]5C[C@@H](O[C@@H]5COP(=O)(O)O[C@H]6C[C@@H](O[C@@H]6COP(=O)(O)O[C@H]7C[C@@H](O[C@@H]7COP(=O)(O)O[C@H]8C[C@@H](O[C@@H]8COP(=O)(O)O[C@H]9C[C@@H](O[C@@H]9COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1CO)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)O is a 24-residue single-stranded DNA oligonucleotide consisting of an alternating sequence of deoxycytidine and deoxyguanosine residues, all connected by 3'->5' phosphodiester linkages. It forms one strand of the double-stranded DNA oligonucleotide [d(C-G).d(C-G)]12 [synonym d(CG/GC)12].
The molecule CC(=O)Oc1c(OC(C)=O)c(-c2ccc(O)cc2)c(OC(=O)CCc2ccccc2)c(OC(C)=O)c1-c1ccc(O)cc1 CC(=O)Oc1c(OC(C)=O)c(-c2ccc(O)cc2)c(OC(=O)CCc2ccccc2)c(OC(C)=O)c1-c1ccc(O)cc1 is A para-terphenyl that consists of 1,4-diphenylbenzene substituted by acetyloxy groups at positions 3', 5' and 6', hydroxy groups at positions 4 and 4'' and a (3-phenylpropanoyl)oxy group at position 2'. It is isolated from the fruit body of the mushroom Paxillus curtisii and exhibits radical scavenging activity. It has the role of metabolite . It has the role of radical scavenger . It is also related to or classified as phenols  . It is also related to or classified as acetate ester  . It is also related to or classified as 3-phenylpropionate ester , para-terphenyl .
The molecule C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C#N)C4=CC5=C(C=C4)OC(=C5)C(=O)N is a 1-benzofuran that is 5-(piperazin-1-yl}-1-benzofuran-2-carboxamide having a (5-cyanoindol-3-yl)butyl group attached at position N-4 on the piperazine ring. Used for the treatment of major depressive disorder. It has a role as an antidepressant, a serotonergic agonist and a serotonin uptake inhibitor. It is a member of indoles, a nitrile, a N-arylpiperazine, a N-alkylpiperazine, a member of 1-benzofurans and a monocarboxylic acid amide. It is a conjugate base of a vilazodone(1+).
The molecule [O-]Cl(=O)(=O)=O.CN(C)c1ccc2C=c3cc4CCC[N+](CCCC(=O)NCCN5C(=O)C=CC5=O)=c4cc3C(C)(C)c2c1 [O-]Cl(=O)(=O)=O.CN(C)c1ccc2C=c3cc4CCC[N+](CCCC(=O)NCCN5C(=O)C=CC5=O)=c4cc3C(C)(C)c2c1 is ATTO 610-4. Its functional parent is ATTO 610-2 . It is also related to or classified as dicarboximide  .
The molecule CC(=O)Oc1c(OC(C)=O)c(-c2ccc(O)cc2)c(OC(=O)c2ccccc2)c(OC(C)=O)c1-c1ccc(O)cc1 CC(=O)Oc1c(OC(C)=O)c(-c2ccc(O)cc2)c(OC(=O)c2ccccc2)c(OC(C)=O)c1-c1ccc(O)cc1 is A para-terphenyl that consists of 1,4-diphenylbenzene substituted by acetyloxy groups at positions 3', 5' and 6', hydroxy groups at positions 4 and 4'' and a benzyloxy group at position 2'. It is isolated from the fruit body of the mushroom Paxillus curtisii and exhibits radical scavenging activity. It has the role of metabolite . It has the role of radical scavenger . It is also related to or classified as phenols  .  It is also related to or classified as acetate ester  . It is also related to or classified as benzoate ester , para-terphenyl .
The molecule C1(C(=O)[O-])=CC(=C(C(=C1)O)O)O.[Na+] C1(C(=O)[O-])=CC(=C(C(=C1)O)O)O.[Na+] is an organic sodium salt resulting from the replacement of the proton from the carboxy group of gallic acid by a sodium ion. It has the role of antioxidant . It has the role of antineoplastic agent . It has the role of cyclooxygenase 2 inhibitor . It has the role of EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor . It has the role of apoptosis inducer . It has the role of astringent . It has the role of human xenobiotic metabolite . It is also related to or classified as organic sodium salt .
The molecule C(CC(=O)N[C@@H](CCC(=O)N)C(=O)O)[C@@H](C(=O)O)N is a dipeptide obtained by formal condensation of the gamma-carboxy group of glutamic acid with the amino group of glutamine It has a role as a human metabolite. It derives from a L-glutamic acid and a L-glutamine. It is a conjugate acid of a gamma-Glu-Gln(1-).
The molecule CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=C(C=C4)C#N)C(=O)NCC5=CC=C(C=C5)OC CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=C(C=C4)C#N)C(=O)NCC5=CC=C(C=C5)OC is (3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(4-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[(4-methoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide. It is also related to or classified as nitrile  . It is also related to or classified as biphenyls .
The molecule [H][C@]1(C[C@@]2([H])C(C)(C)[C@H](O)CC[C@]2(C)[C@@]2([H])CC[C@]34C[C@]3(CC[C@@]4([H])[C@@H](C)C[C@@H](O)[C@]3([H])OC3(C)C)[C@]12C)O[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]1O [H][C@]1(C[C@@]2([H])C(C)(C)[C@H](O)CC[C@]2(C)[C@@]2([H])CC[C@]34C[C@]3(CC[C@@]4([H])[C@@H](C)C[C@@H](O)[C@]3([H])OC3(C)C)[C@]12C)O[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]1O is A triterpenoid saponin that is 24,25-epoxy-13,30-cyclodammarane-3,7,23-triol attached to a 6-O-acetyl-beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. Isolated from Dysoxylum cumingianum it exhibits antileukemic activity. It has the role of antineoplastic agent . It has the role of plant metabolite . It is also related to or classified as beta-D-glucoside  .  It is also related to or classified as epoxide  . It is also related to or classified as secondary alcohol  . It is also related to or classified as acetate ester  . It is also related to or classified as pentacyclic triterpenoid , triterpenoid saponin , monosaccharide derivative .
The molecule C[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)(C(=O)C[C@@H](C3(C)C)O)C is a pentacyclic triterpenoid that is olean-12-ene substituted by a carboxy group at position 28, a beta-hydroxy group at position 3 and an oxo group at position 1. It has been isolated from Juglans sinensis. It has a role as a plant metabolite. It is a pentacyclic triterpenoid, a cyclic terpene ketone and a hydroxy monocarboxylic acid. It derives from a hydride of an oleanane.
The molecule C1CCC(=CC1)C2=CC=C(C=C2)[C@H]3[C@H](N([C@@H]3C#N)S(=O)(=O)C4=CC=CC=C4)CO C1CCC(=CC1)C2=CC=C(C=C2)[C@H]3[C@H](N([C@@H]3C#N)S(=O)(=O)C4=CC=CC=C4)CO is (2S,3R,4S)-1-(benzenesulfonyl)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule [H][C@]1(C[C@@]2([H])C(C)(C)[C@@H](CC[C@]2(C)[C@@]2([H])CC[C@]34C[C@]3(CC[C@@]4([H])[C@@H](C)C[C@@H](O)[C@]3([H])OC3(C)C)[C@]12C)OC(C)=O)O[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]1O [H][C@]1(C[C@@]2([H])C(C)(C)[C@@H](CC[C@]2(C)[C@@]2([H])CC[C@]34C[C@]3(CC[C@@]4([H])[C@@H](C)C[C@@H](O)[C@]3([H])OC3(C)C)[C@]12C)OC(C)=O)O[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]1O is A triterpenoid saponin that is 24,25-epoxy-13,30-cyclodammarane-3,7,23-triol esterified to the corresponding acetate at position 3 and attached to a 6-O-acetyl-beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. Isolated from Dysoxylum cumingianum it exhibits antileukemic activity. It has the role of antineoplastic agent . It has the role of plant metabolite . It is also related to or classified as beta-D-glucoside  .  It is also related to or classified as epoxide  . It is also related to or classified as secondary alcohol  . It is also related to or classified as acetate ester  . It is also related to or classified as pentacyclic triterpenoid , triterpenoid saponin , monosaccharide derivative .
The molecule CCC(=O)N1C[C@H]([C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3=NC=CN=C3)OC[C@@H]1C)C)OC)C CCC(=O)N1C[C@H]([C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3=NC=CN=C3)OC[C@@H]1C)C)OC)C is N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(1-oxopropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-pyrazinecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1CSCC(N1)C(=O)O is a thiomorpholinemonocarboxylic acid having the carboxy group at the 3-position. It is a conjugate acid of a thiomorpholine-3-carboxylate. It is a tautomer of a thiomorpholine-3-carboxylic acid zwitterion.
The molecule [H][C@]1(CC[C@]23C[C@]12CC[C@]1([H])[C@@]2(C)CC[C@@H](OC(C)=O)C(C)(C)[C@]2([H])C[C@@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2O)[C@@]31C)[C@@H](C)C[C@@H](O)[C@H](O)C(C)=C [H][C@]1(CC[C@]23C[C@]12CC[C@]1([H])[C@@]2(C)CC[C@@H](OC(C)=O)C(C)(C)[C@]2([H])C[C@@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2O)[C@@]31C)[C@@H](C)C[C@@H](O)[C@H](O)C(C)=C is A triterpenoid saponin that is 13,30-cyclodammar-25-ene-3,7,23,24-tetrol esterified to the corresponding acetate at position 3 and attached to a 6-O-acetyl-beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. Isolated from Dysoxylum cumingianum, it exhibits antileukemic activity. It has the role of antineoplastic agent . It has the role of plant metabolite . It is also related to or classified as beta-D-glucoside  .  It is also related to or classified as secondary alcohol  . It is also related to or classified as acetate ester  . It is also related to or classified as pentacyclic triterpenoid , triterpenoid saponin , monosaccharide derivative .
The molecule C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CCC3)C(=O)N(C[C@H]1OC)C)C)CC4CCCCC4 C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CCC3)C(=O)N(C[C@H]1OC)C)C)CC4CCCCC4 is N-[(5S,6S,9R)-8-(cyclohexylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide.  It is also related to or classified as lactam  . It is also related to or classified as cyclobutanes , azamacrocycle .
The molecule CC(CC/C=C(/C)\\CC/C=C(\\C)/CC/C=C(\\C)/CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)OC1[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[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)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)O)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@@H]9[C@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)NC(=O)C)O)NC(=O)C is a dolichyl diphosphooligosaccharide in which the oligosaccharide moiety is the Man7GlcNAc2 branched nonasaccharide alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc. It is a conjugate acid of an alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol)(2-).
The molecule [H][C@]1(CC[C@]23C[C@]12CC[C@]1([H])[C@@]2(C)CC[C@@H](OC(C)=O)C(C)(C)[C@]2([H])C[C@@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2O)[C@@]31C)[C@@H](C)C[C@@H](O)[C@H](O)C(C)(C)OC [H][C@]1(CC[C@]23C[C@]12CC[C@]1([H])[C@@]2(C)CC[C@@H](OC(C)=O)C(C)(C)[C@]2([H])C[C@@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2O)[C@@]31C)[C@@H](C)C[C@@H](O)[C@H](O)C(C)(C)OC is A triterpenoid saponin that is 25-methoxy-13,30-cyclodammarane-3,7,23,24-tetrol esterified to the coressponding acetate ester at position 3 and attached to a 6-O-acetyl-beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. Isolated from Dysoxylum cumingianum, it exhibits antileukemic activity. It has the role of antineoplastic agent . It has the role of plant metabolite . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as ether  .  It is also related to or classified as secondary alcohol  . It is also related to or classified as acetate ester  . It is also related to or classified as pentacyclic triterpenoid , triterpenoid saponin , monosaccharide derivative .
The molecule C[C@H]1CN[C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)N(C[C@H]1OC)C)C C[C@H]1CN[C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)N(C[C@H]1OC)C)C is N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-phenylbenzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCCCCCCCCCCCCCCCCCC(=O)N[C@H](CC1=CC=CC=C1)C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H](C(C)CC)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](C)C(=O)OC is a lipopeptide consisting of the methyl ester of a D-Phe-N-Me-L-Val-L-Ile-L-Phe-L-Ala hexapeptide, to the nitrogen of the D-phenylalanine residue of which is linked a C20 (icosanoyl) fatty-acyl chain. It is a major cell wall lipopeptide of Mycobacterium avium ssp. paratuberculosis (MAP), the causative agent of Johne's disease in cattle and other ruminants. It has a role as an antigen. It is a lipopeptide and a methyl ester.
The molecule [H][C@]1(C[C@@]2([H])C(C)(C)[C@@H](CC[C@]2(C)[C@@]2([H])CC[C@]34C[C@]3(CC[C@@]4([H])[C@@H](C)C[C@@H](O)[C@H](O)C(C)(C)O)[C@]12C)OC(C)=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O [H][C@]1(C[C@@]2([H])C(C)(C)[C@@H](CC[C@]2(C)[C@@]2([H])CC[C@]34C[C@]3(CC[C@@]4([H])[C@@H](C)C[C@@H](O)[C@H](O)C(C)(C)O)[C@]12C)OC(C)=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O is A triterpenoid saponin that is 13,30-cyclodammarane-3,7,23,24,25-pentol esterified to the corresponding acetate at position 3 and attached to a beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. Isolated from Dysoxylum cumingianum, it exhibits antileukemic activity. It has the role of antineoplastic agent . It has the role of plant metabolite . It is also related to or classified as beta-D-glucoside  .  It is also related to or classified as secondary alcohol  . It is also related to or classified as acetate ester  . It is also related to or classified as pentacyclic triterpenoid , triterpenoid saponin , monosaccharide derivative .
The molecule CC(=O)CCC(CO)C1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C=C(C=C3O)O)O is the tricyclic anthraquinone form of versicolorone. It is a versicolorone and a tetrahydroxyanthraquinone. It is a conjugate acid of a versicolorone(1-).
The molecule [H][C@]1(CC[C@]23C[C@]12CC[C@]1([H])[C@@]2(C)CC[C@@H](OC(C)=O)C(C)(C)[C@]2([H])C[C@@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2O)[C@@]31C)[C@@H](C)C[C@@H](O)[C@H](O)C(C)(C)O [H][C@]1(CC[C@]23C[C@]12CC[C@]1([H])[C@@]2(C)CC[C@@H](OC(C)=O)C(C)(C)[C@]2([H])C[C@@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2O)[C@@]31C)[C@@H](C)C[C@@H](O)[C@H](O)C(C)(C)O is A triterpenoid saponin that is 13,30-cyclodammarane-3,7,23,24,25-pentol esterified to the corresponding acetate at position 3 and attached to a 6-O-acetyl-beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. Isolated from Dysoxylum cumingianum, it exhibits antileukemic activity. It has the role of antineoplastic agent . It has the role of plant metabolite . It is also related to or classified as beta-D-glucoside  .  It is also related to or classified as secondary alcohol  . It is also related to or classified as acetate ester  . It is also related to or classified as pentacyclic triterpenoid , triterpenoid saponin , monosaccharide derivative .
The molecule CCC(=O)N1C[C@H]([C@@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3CC3)OC[C@H]1C)C)OC)C CCC(=O)N1C[C@H]([C@@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3CC3)OC[C@H]1C)C)OC)C is N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(1-oxopropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CO)C(=O)O)N is a dipeptide that is the N-(L-phenylalanyl) derivative of L-serine. It has a role as a metabolite. It derives from a L-phenylalanine and a L-serine.