anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C)C#C is a 3-oxo Delta(4)-steroid that is norethisterone in which the hydroxy group has been converted to its acetate ester. It has a role as a synthetic oral contraceptive and a progestin. It is a 3-oxo-Delta(4) steroid, a terminal acetylenic compound and an acetate ester. It derives from a norethisterone.
The molecule C[C@@H]1CCO[C@@H]2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)O is a monocarboxylic acid amide obtained by formal condensation of the carboxy group of (4R,12aS)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxylic acid with the amino group of 2,4-difluorobenzylamine. Used (as its sodium salt) for treatment of HIV-1. It has a role as a HIV-1 integrase inhibitor. It is an organofluorine compound, a monocarboxylic acid amide and an organic heterotricyclic compound. It is a conjugate acid of a dolutegravir(1-).
The molecule O1C(CCC2=C1C=C(OC)C=C2)C=3C=C(OC)C(OC)=C(O)C3 O1C(CCC2=C1C=C(OC)C=C2)C=3C=C(OC)C(OC)=C(O)C3 is 5'-Hydroxy-3',4',7-trimethoxyflavan. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@H](C)CO)C)CN(C)CC3=CC=CC=C3 C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@H](C)CO)C)CN(C)CC3=CC=CC=C3 is 4-(dimethylamino)-N-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCC/C=C\\CCC)O is a beta-D-glucosylceramide obtained by formal condensation of the carboxy group of docosanoic acid with the amino group of beta-D-glucosyl-(1<->1')-(4E,14Z)-sphingadienine. It has a role as a marine metabolite. It derives from a docosanoic acid and a sphinga-4E,14Z-dienine.
The molecule OC=1C(=O)C=2C3=C(C=CC2C4=CC(OC)=C(O)C=C4)C=CC=C3C1 OC=1C(=O)C=2C3=C(C=CC2C4=CC(OC)=C(O)C=C4)C=CC=C3C1 is Musanolone F. It is also related to or classified as benzenes , naphthalenes , ring assembly .
The molecule O=C(CC(=O)O)CC/C=C/[C@@H](C/C=C\CCCCC)O O=C(CC(=O)O)CC/C=C/[C@@H](C/C=C\CCCCC)O is (6E,8R,10Z)-8-hydroxy-3-oxohexadeca-6,10-dienoic acid.  It is also related to or classified as long-chain fatty acid  . It is also related to or classified as hydroxy monounsaturated fatty acid , oxo fatty acid .
The molecule OC[C@H]1O[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](O)C(=O)[C@@H]1O OC[C@H]1O[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](O)C(=O)[C@@H]1O is uDP-sugar having 3-keto-alpha-D-glucose as the sugar component. Its functional parent is 3-dehydro-D-glucose . It is a conjugate acid of UDP-3-keto-alpha-D-glucose(2-) . It is also related to or classified as UDP-sugar  . It is also related to or classified as secondary alpha-hydroxy ketone  .
The molecule S1[C@@]23N(C(=O)[C@]4(SC)CC5[C@H](N4C2=O)[C@@H](O)CCC5=O)[C@@H]6[C@H]([C@H]1C[C@H](O)[C@@H]6C3)O S1[C@@]23N(C(=O)[C@]4(SC)CC5[C@H](N4C2=O)[C@@H](O)CCC5=O)[C@@H]6[C@H]([C@H]1C[C@H](O)[C@@H]6C3)O is Eutypellazine G. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C=1(C2=C(C=C(C1)OC)C(=C3C(=C2O)C(CC(O3)(C)O)=O)C=4C(=C5C(=CC4O)C=C6C(=C5O)C(CC(O6)(C)O)=O)OC)OC C=1(C2=C(C=C(C1)OC)C(=C3C(=C2O)C(CC(O3)(C)O)=O)C=4C(=C5C(=CC4O)C=C6C(=C5O)C(CC(O6)(C)O)=O)OC)OC is A dimeric naphtho-gamma-pyrone with formula C31H28O12, originally isolated from Aspergillus niger. It has the role of marine metabolite . It has the role of Aspergillus metabolite . It is also related to or classified as polyphenol , aromatic ether , cyclic hemiketal , biaryl , naphtho-gamma-pyrone , aromatic ketone , cyclic ketone .
The molecule COCCOC1=CN=C(N=C1)NS(=O)(=O)C2=CC=CC=C2 is a sulfonamide that is N-(pyrimidin-2-yl)benzenesulfonamide which is substituted at position 5 of the pyrimidine ring by a 2-methoxyethoxy group. It is a hypoglycemic drug used for the treatment of diabetes mellitus. It has a role as a hypoglycemic agent. It is a member of pyrimidines, a sulfonamide and a diether. It is a conjugate acid of a glymidine(1-).
The molecule CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=O)C)/C is an apo carotenoid compound arising from oxidative degradation of the beta,beta-carotene skeleton at the 13-position. It is an apo carotenoid and an enone.
The molecule C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)CC3=CC=CC=C3 C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)CC3=CC=CC=C3 is N-[[(3S,9R,10R)-16-(dimethylamino)-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-9-yl]methyl]-N-methyl-2-phenylacetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC(=O)N[C@@H](CCC[NH3+])C([O-])=O CC(=O)N[C@@H](CCC[NH3+])C([O-])=O is an amino acid zwitterion of N(2)-acetyl-L-ornithine arising from migration of a proton from the carboxy group to the epsilon-amino group; major species at pH 7.3. It has the role of Escherichia coli metabolite . It has the role of human metabolite . It is also related to or classified as amino-acid zwitterion .
The molecule CCO/C=C/1\\C(=O)OC(=N1)C2=CC=CO2 is a 1,3-oxazole compound having a 2-furyl substituent at the 2-position, an ethoxymethylene group at the 4-position, and an oxo group at the 5-position. It is a gamma-lactone and a member of 1,3-oxazoles.
The molecule O[C@@H](/C=C/C=C/C(=O)O)C/C=C\CCCCC O[C@@H](/C=C/C=C/C(=O)O)C/C=C\CCCCC is A hydroxy polyunsaturated fatty acid that is (2E,4E,8Z)-tetradeca-2,4,8-trienoic acid which is carrying a hydroxy group at the 6R-position.  It is also related to or classified as long-chain fatty acid  . It is also related to or classified as hydroxy polyunsaturated fatty acid , straight-chain fatty acid , alpha,beta-unsaturated monocarboxylic acid .
The molecule C12NC(NC(C1(C)C3(C2NC(NC3=O)=O)C)=O)=O C12NC(NC(C1(C)C3(C2NC(NC3=O)=O)C)=O)=O is A member of the class of cyclobutadipyrimidines that is hexahydro-1,3,6,8-tetraazabiphenylene-2,4,5,7-tetrone carrying two additional methyl substituents at positions 4a and 4b. It has the role of Mycoplasma genitalium metabolite . It is also related to or classified as cyclobutadipyrimidine .
The molecule C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@@H](C)CO)C)CN(C)CC3=CC=NC=C3 C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@@H](C)CO)C)CN(C)CC3=CC=NC=C3 is 4,4,4-trifluoro-N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule S1[C@@]23N(C(=O)[C@]4(SC)CC5[C@H](N4C2=O)[C@@H](O)CCC5=O)[C@@H]6[C@H]([C@H]1CC(=O)[C@@H]6C3)O S1[C@@]23N(C(=O)[C@]4(SC)CC5[C@H](N4C2=O)[C@@H](O)CCC5=O)[C@@H]6[C@H]([C@H]1CC(=O)[C@@H]6C3)O is Eutypellazine F. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C=1(C(=CC(=CC1Cl)O)Cl)[O-] C=1(C(=CC(=CC1Cl)O)Cl)[O-] is A phenolate anion that is 2,6-dichlorohydroquinone in which the hydroxy group that is ortho to both of the chlorines has been deprotonated. The major species at pH 7.3. It is also related to or classified as phenolate anion .
The molecule C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2C(=O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3OS(=O)(=O)O)NS(=O)(=O)O)O[C@H]4[C@@H]([C@H]([C@@H](O[C@H]4C(=O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)NS(=O)(=O)O)O)COS(=O)(=O)O)OS(=O)(=O)O)O)COS(=O)(=O)O)O)O)NS(=O)(=O)O)O)O)OS(=O)(=O)O is a heparin pentasaccharide resulting from the hydrolysis of the O-methyl group of fondaparinux. It has a role as an anticoagulant. It is an oligosaccharide sulfate, an amino pentasaccharide and a heparin pentasaccharide.
The molecule COC1=C(O)C=CC(=C1)C1OC2=CC(O)=CC(O)=C2C(=O)C1O COC1=C(O)C=CC(=C1)C1OC2=CC(O)=CC(O)=C2C(=O)C1O is A tetrahydroxyflavanone that is taxifolin in which the hydroxy group at position 3' is substituted by a methoxy group. It is a metabolite of taxifolin. It has the role of plant metabolite . It has the role of rat metabolite . Its functional parent is taxifolin . It is also related to or classified as 4'-hydroxyflavanones  . It is also related to or classified as 3'-methoxyflavanones  . It is also related to or classified as secondary alpha-hydroxy ketone  .   It is also related to or classified as dihydroflavonols  . It is also related to or classified as monomethoxyflavanone , tetrahydroxyflavanone .
The molecule C=1(C=2C(C=C(C1)OC)=CC(=C3C2OC(=CC3=O)C)O)OC C=1(C=2C(C=C(C1)OC)=CC(=C3C2OC(=CC3=O)C)O)OC is A naphtho-gamma-pyrone that is 4H-naphtho[1,2-b]pyran-4-one carrying a methyl substituent at position2, a hydroxy substituent at position 5 and two methoxy substotuents at positions 8 and 10. Originally isolated from Aspergillus niger. It has the role of antiviral agent . It has the role of acyl-CoA:cholesterol acyltransferase 2 inhibitor . It has the role of marine metabolite . It has the role of Aspergillus metabolite . It is also related to or classified as phenols  . It is also related to or classified as aromatic ether , naphtho-gamma-pyrone .
The molecule CC(=O)NC(CCC(=O)N)C(=O)O is a glutamine derivative with an acetyl group bound at the alpha-amino group. It has a role as a human urinary metabolite. It is a N-acetyl-amino acid and a N(2)-acylglutamine.
The molecule C[C@H]1C[C@]2([C@H]([C@H]1O)[C@H](/C(=C\\C[C@H]3[C@H](C3(C)C)/C=C(/C2=O)\\C)/C)OC(=O)/C=C/C4=CC=CC=C4)O is a lathyrane diterpenoid isolated from the roots of Euphorbia micractina. It is a cinnamate ester, a lathyrane diterpenoid and a tertiary alpha-hydroxy ketone.
The molecule O=C/1N[C@@](OC)(C(=O)N\C1=C/C=2C3=C(C=CC=C3)NC2C(C=C)(C)C)C O=C/1N[C@@](OC)(C(=O)N\C1=C/C=2C3=C(C=CC=C3)NC2C(C=C)(C)C)C is Variecolorin H. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule O[C@H]1C[C@H](CC[C@@H]1c1ccc(cc1)C(=O)NCCCC(O)=O)c1ccccc1 O[C@H]1C[C@H](CC[C@@H]1c1ccc(cc1)C(=O)NCCCC(O)=O)c1ccccc1 is A gamma-aminobutyric acid (GABA)-based hapten where a 4-substituted benzoyl group is attached to nitrogen. It has the role of hapten . Its functional parent is gamma-aminobutyric acid . It is also related to or classified as N-acyl-gamma-aminobutyric acid  . It is also related to or classified as cyclohexanols , monocarboxylic acid .
The molecule C[C@@H](C(=O)c1ccc(cc1)N(C)C)\C=C(C)\C=C\C(=O)NO C[C@@H](C(=O)c1ccc(cc1)N(C)C)\C=C(C)\C=C\C(=O)NO is trichostatin A. It has the role of geroprotector . It has the role of EC 3.5.1.98 (histone deacetylase) inhibitor . It has the role of bacterial metabolite . Its functional parent is (R)-trichostatic acid .  It is also related to or classified as trichostatin  . It is also related to or classified as hydroxamic acid , antibiotic antifungal agent .
The molecule C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O is a disaccharide that is beta-D-galactopyranose in which the hydroxy group at position 3 has been has been converted into the corresponding alpha-D-glucopyranoside. It is an alpha-D-glucoside, an alpha-D-Glcp-(1->3)-D-Galp and a glycosylgalactose. It derives from a beta-D-galactose.
The molecule CCCCC\C=C\C=C\C=C\C1=C(CO)C(O)=CC=C1O CCCCC\C=C\C=C\C=C\C1=C(CO)C(O)=CC=C1O is an aromatic primary alcohol that is phenol in which the hydrogens at positions 2, 3 and 4 are replaced by hydroxymethyl, (1E,3E,5E)-undeca-1,3,5-trien-1-yl, and hydroxy groups, respectively.  It is also related to or classified as polyketide  .  It is also related to or classified as aromatic primary alcohol  .  It is also related to or classified as phenols  . It is also related to or classified as hydroxybenzyl alcohol , triol , olefinic compound .
The molecule O[C@H](CCC(=O)O)C/C=C\CCCCC O[C@H](CCC(=O)O)C/C=C\CCCCC is (4R,6Z)-4-hydroxydodec-6-enoic acid.  It is also related to or classified as medium-chain fatty acid  . It is also related to or classified as hydroxy monounsaturated fatty acid , hydroxy fatty acid .
The molecule S([C@@]12N(C(=O)[C@]3(SC)C[C@H]4[C@H](N3C1=O)[C@@H](O)C=CC4=O)[C@@H]5[C@@H](O)C=CC=C5C2)C S([C@@]12N(C(=O)[C@]3(SC)C[C@H]4[C@H](N3C1=O)[C@@H](O)C=CC4=O)[C@@H]5[C@@H](O)C=CC=C5C2)C is Eutypellazine E. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)O)O)O)OC(=O)CCC is a 1-phosphatidyl-1D-myo-inositol 5-phosphate in which both phosphatidyl acyl groups are specified as butanoyl. It is a 1-phosphatidyl-1D-myo-inositol 5-phosphate and a butyrate ester. It derives from a butyric acid. It is a conjugate acid of a 1,2-dibutyryl-sn-glycero-3-phospho-(1'D-myo-inositol-5'-phosphate)(3-).
The molecule CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O is a hydroxypregnenolone carrying an alpha-hydroxy group at position 17. It has a role as a human metabolite and a mouse metabolite. It is a hydroxypregnenolone, a 3beta-hydroxy steroid, a 17alpha-hydroxy steroid, a 3beta-hydroxy-Delta(5)-steroid, a 17alpha-hydroxy-C21-steroid and a tertiary alpha-hydroxy ketone.
The molecule N#CCc1ccccc1 N#CCc1ccccc1 is A nitrile that is acetonitrile where one of the methyl hydrogens is substituted by a phenyl group. It has the role of pheromone . It has the role of animal metabolite . Its functional parent is acetonitrile . It is also related to or classified as nitrile  . It is also related to or classified as benzenes .
The molecule O=C1OC(C2=CC[C@@]3([C@@]4(C2=C1)[C@@]5(O[C@]6(O)[C@@](C4)(C)C([C@@]37C(=O)O[C@H]([C@]76O5)C)=C)C)C)(C)C O=C1OC(C2=CC[C@@]3([C@@]4(C2=C1)[C@@]5(O[C@]6(O)[C@@](C4)(C)C([C@@]37C(=O)O[C@H]([C@]76O5)C)=C)C)C)(C)C is Dhilirolide J. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule OC[C@@H](O)[C@@H](O[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)C=O OC[C@@H](O)[C@@H](O[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)C=O is A maltohexaose hexasaccharide in which the glucose residue at the reducing end is in the aldehydo open-chain form. It has the role of Escherichia coli metabolite . It is also related to or classified as maltohexaose hexasaccharide .
The molecule C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CN(C)C C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CN(C)C is N-[(3S,9R,10R)-9-[(dimethylamino)methyl]-12-[(2S)-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]-4-pyridinecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CN(CC(=O)N[C@@H](CCC(=O)N)C(=O)O)C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] is a dipeptide consisting of sarcosine (1-methylglycine) substituted on nitrogen by a 2,4-dinitrophenyl group and connected to L-glutamine via a peptide bond. It has a role as an epitope. It contains a 2,4-dinitrophenyl group.
The molecule C=1(C(=C(C=C(C1Cl)O)Cl)[O-])Cl C=1(C(=C(C=C(C1Cl)O)Cl)[O-])Cl is A phenolate anion that is 2,3,5-trichlorobenzene-1,4-diol in which the hydroxy group that is ortho- to two chlorines has undergone deprotonation. The major species at pH 7.3. It is also related to or classified as phenolate anion .
The molecule [H]C(=O)N1[C@@H](CNc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNc2nc(N)[nH]c(=O)c12 [H]C(=O)N1[C@@H](CNc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNc2nc(N)[nH]c(=O)c12 is the pharmacologically active (6S)-stereoisomer of 5-formyltetrahydrofolic acid. It has the role of metabolite . It has the role of antineoplastic agent . It is a conjugate acid of (6S)-5-formyltetrahydrofolate(2-) . It is also related to or classified as 5-formyltetrahydrofolic acid  .
The molecule C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OC(=O)[C@H](CO)N)O)N is an L-serine derivative that is the ester obtained by formal condensation of the carboxy group of L-serine with the 3'-hydroxy group of AMP. It has a role as a Mycoplasma genitalium metabolite. It is an adenosine 5'-phosphate, a L-serine derivative, an alpha-amino acid ester and a purine ribonucleoside 5'-monophosphate. It derives from an adenosine 5'-monophosphate.
The molecule C1=CC=CC=C1S(CCC2=CC3=C(C=C2)NC=C3C[C@@H]4N(CCC4)C)(=O)=O C1=CC=CC=C1S(CCC2=CC3=C(C=C2)NC=C3C[C@@H]4N(CCC4)C)(=O)=O is an N-alkylpyrrolidine, that is N-methylpyrrolidine in which the pro-R hydrogen at position 2 is replaced by a {5-[2-(phenylsulfonyl)ethyl]-1H-indol-3-yl}methyl group. It has the role of non-steroidal anti-inflammatory drug . It has the role of serotonergic agonist . It has the role of vasoconstrictor agent .  It is also related to or classified as sulfone  . It is also related to or classified as indoles , N-alkylpyrrolidine .
The molecule [H][C@]12C[C@]3(C)CCC[C@@]1(C[C@@]1(C)CC[C@]4(C)CC[C@H](C(C)C)[C@@]4([H])[C@]21[H])C3=C [H][C@]12C[C@]3(C)CCC[C@@]1(C[C@@]1(C)CC[C@]4(C)CC[C@H](C(C)C)[C@@]4([H])[C@]21[H])C3=C is A sesterterpene produced in the bacterium Streptomyces subrutilus. It has the role of bacterial metabolite .  It is also related to or classified as sesterterpene  . It is also related to or classified as carbopentacyclic compound , polycyclic olefin .
The molecule S([C@@]12N(C(=O)[C@]3(SC)C[C@@H]4[C@H](N3C1=O)[C@@H](O)CCC4=O)[C@@H]5[C@@H](O)C=CC=C5C2)C S([C@@]12N(C(=O)[C@]3(SC)C[C@@H]4[C@H](N3C1=O)[C@@H](O)CCC4=O)[C@@H]5[C@@H](O)C=CC=C5C2)C is Eutypellazine D. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule O1C=2C=C3C(=CC2OC)C=CN=C3C(=O)C4=CC=C(OC=5C=C(CC6N(CCC=7C6=C1C(OC)=C(OC)C7)C)C=CC5OC)C=C4 O1C=2C=C3C(=CC2OC)C=CN=C3C(=O)C4=CC=C(OC=5C=C(CC6N(CCC=7C6=C1C(OC)=C(OC)C7)C)C=CC5OC)C=C4 is A bisbenzylisoquinoline alkaloid that is 1',2',3',4'-tetradehydroberbaman which has been substituted by a methyl group at position 2, methoxy groups at positions 6, 6', 7, and 12, and an oxo group at the 15' position. Isolated from Stephania tetrandra. It has the role of plant metabolite .   It is also related to or classified as macrocycle  . It is also related to or classified as bisbenzylisoquinoline alkaloid , aromatic ether .
The molecule C#C[C@@H](/C=C/CCCCCCCCC/C=C\\CCCC/C=C\\CCCCC/C=C/[C@H](C#C)O)O is an enyne that is (4E,11Z,17Z,28E)-dotriaconta-4,11,17,28-tetraene-1,31-diyne substituted by hydroxy groups at positions 3 and 30 (the 3R,30R-stereoisomer). It has been isolated from the marine sponge Petrosia. It has a role as an antineoplastic agent, an animal metabolite and a marine metabolite. It is a diol, an enyne, a secondary alcohol and a terminal acetylenic compound.
The molecule CC(=O)/C=C/C1=CC=CC=C1 is the trans-isomer of benzylideneacetone. It acts as an inhibitor of the enzyme phospholipase A2 (EC 3.1.1.4) of insects like diamond back moth. It has a role as a flavouring agent, a fragrance, a bacterial metabolite and an EC 3.1.1.4 (phospholipase A2) inhibitor.
The molecule [C@H]1(C=2C3=C(C(C(C4=CC=C(O)C=C4)=CO3)=O)C=CC2[O-])[C@@H](C([C@H](O)[C@@H](CO)O1)=O)O [C@H]1(C=2C3=C(C(C(C4=CC=C(O)C=C4)=CO3)=O)C=CC2[O-])[C@@H](C([C@H](O)[C@@H](CO)O1)=O)O is major microspecies at pH 7.3. Its functional parent is puerarin(1-) . It is also related to or classified as phenolate anion .
The molecule CC[C@H](C)CC\C=C\C=C(/C)[C@@H](O)C\C=C\C=C\C(=O)O[C@@H]1[C@@H](O)[C@@]2(OCc3cc(O)cc(O)c23)O[C@H](CO)[C@H]1O[C@@H]1O[C@H](COC(=O)\C=C\C=C/C=C/C(O)CC)[C@H](O)[C@H](O)[C@H]1O CC[C@H](C)CC\C=C\C=C(/C)[C@@H](O)C\C=C\C=C\C(=O)O[C@@H]1[C@@H](O)[C@@]2(OCc3cc(O)cc(O)c23)O[C@H](CO)[C@H]1O[C@@H]1O[C@H](COC(=O)\C=C\C=C/C=C/C(O)CC)[C@H](O)[C@H](O)[C@H]1O is A papulacandin that is papulacandin A in which the (2E,4E)-deca-2,4-dienoyl chain at the O-(6') position is replaced by a (2E,4Z,6E)-8-hydroxydeca-2,4,6-trienoyl chain. It is the major carbohydrate-containing antibiotic from the deuteromycetous fungus Papularia sphaerosperma which shows potent antifungal activity against Candida albicans. It has the role of metabolite . It has the role of antifungal agent . Its functional parent is alpha-lactose . It is also related to or classified as organic heterotricyclic compound , disaccharide derivative , papulacandin .
The molecule CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)[C@@H](CC(O)=O)C(=O)C1=CC=CC=C1 CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)[C@@H](CC(O)=O)C(=O)C1=CC=CC=C1 is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (S)-2-benzoylsuccinic acid. It is a conjugate acid of (S)-2-benzoylsuccinyl-CoA(5-) . It is also related to or classified as acyl-CoA  .
The molecule [H]OP([O-])(=O)O[H] [H]OP([O-])(=O)O[H] is A monovalent inorganic anion that consists of phosphoric acid in which one of the three OH groups has been deprotonated. It is a conjugate acid of hydrogenphosphate . It is also related to or classified as phosphate ion , monovalent inorganic anion .
The molecule CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O is ergotaman bearing a hydroxy group at the 12' position, isopropyl groups at the 2' and 5'alpha positions, and oxo groups at positions 3', 6', and 18. It is a natural ergot alkaloid. It derives from a hydride of an ergotaman.
The molecule C[NH2+]CC(O)c1ccc(O)cc1 C[NH2+]CC(O)c1ccc(O)cc1 is conjugate acid of synephrine. It is a conjugate acid of synephrine . It is also related to or classified as ammonium ion derivative .
The molecule C[C@H](\C=C(C)\C=C\C(=O)NO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)c1ccc(cc1)N(C)C C[C@H](\C=C(C)\C=C\C(=O)NO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)c1ccc(cc1)N(C)C is trichostatin D. Its functional parent is trichostatin A . It is also related to or classified as trichostatin  . It is also related to or classified as O-amino sugar .
The molecule S1[C@@]23N(C(=O)[C@]4(SC)CC=5[C@H](N4C2=O)[C@@H](O)C=CC5)[C@H]6[C@@H](C3)C([C@@H]1C[C@@H]6O)=O S1[C@@]23N(C(=O)[C@]4(SC)CC=5[C@H](N4C2=O)[C@@H](O)C=CC5)[C@H]6[C@@H](C3)C([C@@H]1C[C@@H]6O)=O is Eutypellazine C. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)[C@@H](CC(O)=O)[C@@H](O)C1=CC=CC=C1 CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)[C@@H](CC(O)=O)[C@@H](O)C1=CC=CC=C1 is A [hydroxy(phenyl)methyl]succinyl-CoA in which the [hydroxy(phenyl)methyl]succinic acid moiety adopts 1R,2S-configuration. It is a conjugate acid of (R,S)-[hydroxy(phenyl)methyl]succinyl-CoA(5-) . It is also related to or classified as [hydroxy(phenyl)methyl]succinyl-CoA  .