anonymous041/ChEBI-Augmented huggingface dataset:
The molecule [H][C@@]1(C)O[C@@]1([H])C1=C[C@H](O)[C@@H](C)OC1=O [H][C@@]1(C)O[C@@]1([H])C1=C[C@H](O)[C@@H](C)OC1=O is A member of the class of 2-pyranones that is 5,6-dihydro-2H-pyran-2-one in which the hydrogens at positions 3, 5S and 6R are replaced by (2S,3S)-3-methyloxiran-2-yl, hydroxy and methyl groups, respectively. It is a fungal metabolite isolated from Aspergillus melleus and exhibits nematicidal, antibacterial and antifungal properties. It has the role of mycotoxin . It has the role of nematicide . It has the role of antibacterial agent . It has the role of Aspergillus metabolite . It is also related to or classified as polyketide  . 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 2-pyranones , antibiotic antifungal agent .
The molecule C1(=NC=CC(C2=C(C3=CC=C(F)C=C3)N=CN2C4CCNCC4)=N1)OC=5C=CC(=CC5)C=6C=CC=CC6 C1(=NC=CC(C2=C(C3=CC=C(F)C=C3)N=CN2C4CCNCC4)=N1)OC=5C=CC(=CC5)C=6C=CC=CC6 is A piperidinylimidazole that is 1H-imidazole carrying a piperidin-4-yl group, 4-fluorophenyl group and a 2-([biphenyl]-4-yloxy)pyrimidin-4-yl group at positions 1, 4 and 5 respectively. It is a potent inhibitor of p38alpha mitogen-activated protein kinase. It has the role of EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor .    It is also related to or classified as monofluorobenzenes  . It is also related to or classified as biphenyls , aryloxypyrimidine , piperidinylimidazole .
The molecule CC[C@]1(C[C@@H](C2=C(C3=C(C=C2[C@H]1C(=O)OC)C(=O)C4=C(C3=O)C(=CC=C4)O)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@@H]([C@@H](O6)C)O[C@H]7CC[C@@H]([C@@H](O7)C)O)O)[NH+](C)C)O is an anthracycline cation that is the conjugate acid of aclacinomycin N, obtained by protonation of the tertiary amino group. It is a conjugate acid of an aclacinomycin N and an aclacinomycin N zwitterion.
The molecule C(CCCCCCCCCCO)CCCCC([O-])=O C(CCCCCCCCCCO)CCCCC([O-])=O is an omega-hydroxy-long-chain fatty acid anion that is the conjugate base of 16-hydroxyhexadecanoic acid (also known as 16-hydroxypalmitic acid or juniperic acid). It has the role of plant metabolite . Its functional parent is hexadecanoate . It is also related to or classified as omega-hydroxy-long-chain fatty acid anion  .
The molecule CCOP(=S)(OCC)OC1=NC(=C(C=C1Cl)Cl)Cl is an organic thiophosphate that is O,O-diethyl hydrogen phosphorothioate in which the hydrogen of the hydroxy group has been replaced by a 3,5,6-trichloropyridin-2-yl group. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an agrochemical, an EC 3.1.1.8 (cholinesterase) inhibitor, an environmental contaminant, a xenobiotic, an acaricide and an insecticide. It is an organic thiophosphate and a chloropyridine.
The molecule CCOC1=NN2N=CC(C3=NC(=NC=C3)NC4=CC(=CC=C4)N5CCOCC5)=C2C=C1 CCOC1=NN2N=CC(C3=NC(=NC=C3)NC4=CC(=CC=C4)N5CCOCC5)=C2C=C1 is A pyrazolopyridazine that is pyrazolo[1,5-b]pyridazine substituted by a 2-[3-(morpholin-4-yl)anilino]pyrimidin-4-yl group at position 3 and an ethoxy group at position 6. It is also related to or classified as aromatic ether , aminopyrimidine , morpholines , pyrazolopyridazine , secondary amino compound , tertiary amino compound .
The molecule CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)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)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)O)O)O)C is a ginsenoside found in Panax species that is dammarane which is substituted by hydroxy groups at the 3beta, 12beta and 20 pro-S positions, in which the hydroxy groups at positions 3 and 20 have been converted to the corresponding beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranoside and beta-D-xylopyranosyl-(1->6)-beta-D-glucopyranoside respectively, and in which a double bond has been introduced at the 24-25 position. It has a role as a plant metabolite, an antioxidant, an antidepressant, a cardioprotective agent, a NMDA receptor antagonist and a neuroprotective agent. It is a 12beta-hydroxy steroid, a beta-D-glucoside, a disaccharide derivative, a ginsenoside and a tetracyclic triterpenoid. It derives from a hydride of a dammarane.
The molecule [Br-].C[N+](C)(C)C [Br-].C[N+](C)(C)C is the bromide salt of tetramethylammonium. It is also related to or classified as bromide salt , quaternary ammonium salt .
The molecule CC(=CCC/C(=C/CC/C(=C/C=C/C(=C/C=C/C=C(\\C)/C=C/C=C(\\C)/C=C/C=C(\\C)/C=C/C(C(C)(C)OC)(O)O)/C)/C)/C)C is a carotenoid ether that is spheroidene carrying two hydroxy groups, both at position 2. It is a carotenoid ether, a carotenol and a ketone hydrate. It derives from a spheroidene.
The molecule CCOC=1C=CC=2N(N1)N=CC2C3=CC=NC(NC4=CC=CC=C4)=N3 CCOC=1C=CC=2N(N1)N=CC2C3=CC=NC(NC4=CC=CC=C4)=N3 is A pyrazolopyridazine that is pyrazolo[1,5-b]pyridazine which is substituted by a 2-anilinopyrimidin-4-yl group at position 3 and by an ethoxy group at position 6. It is also related to or classified as aromatic ether , aminopyrimidine , pyrazolopyridazine , substituted aniline .
The molecule CC(=O)C1=CC(=C(C=C1)OC(=O)C)OC is an acetate ester that is phenylacetate substituted by an acetyl group at position 4 and a methoxy group at position 2 respectively. It is a member of acetophenones, a monomethoxybenzene and a member of phenyl acetates.
The molecule C[C@@H]1CCN2C=C(COC[C@H](NC1=O)CC3=CC=CC=C3)N=N2 C[C@@H]1CCN2C=C(COC[C@H](NC1=O)CC3=CC=CC=C3)N=N2 is (4R,7R)-4-methyl-7-(phenylmethyl)-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC(C)CON=O CC(C)CON=O is isobutyl nitrite. Its functional parent is isobutanol . It is also related to or classified as nitrite esters .
The molecule CN1CCN(CC1)C2=CC=C(NC3=NC=C4CC(C)(C)C5=C(N(C)N=C5C(NC)=O)C4=N3)C(C)=C2 CN1CCN(CC1)C2=CC=C(NC3=NC=C4CC(C)(C)C5=C(N(C)N=C5C(NC)=O)C4=N3)C(C)=C2 is an organic heterotricyclic compound that is N,1,4,4-tetramethyl-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide substituted by a [2-methyl-4-(4-methylpiperazin-1-yl)phenyl]nitrilo group at position 8. It is also related to or classified as secondary carboxamide  . It is also related to or classified as aminotoluene , organic heterotricyclic compound , N-methylpiperazine , secondary amino compound , tertiary amino compound .
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](OC([C@@H]([C@H]2O)NC(=O)C)O)CO)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 is a high-mannose oligosaccharide that is alpha-D-Manp-(1->3)-[alpha-D-Manp-(1->6)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-D-GlcpNAc in which the terminal (1->3)- and (1->6)-attached mannosyl groups have been gylcosylated at positions 2 and 3 respectively by 2-O-alpha-D-mannopyranosyl-alpha-D-mannopyranosyl groups. It is a high-mannose oligosaccharide and an amino nonasaccharide. It derives from an alpha-D-Manp-(1->3)-[alpha-D-Manp-(1->6)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-D-GlcpNAc.
The molecule CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O is A ten-membered synthetic oligopeptide comprising pyroglutamyl, histidyl, tryptophyl, seryl, tyrosyl, glycyl, leucyl, arginyl, prolyl and glycinamide residues joined in sequence. It has the role of gonadotropin releasing hormone agonist . It is also related to or classified as oligopeptide  . It is also related to or classified as peptide hormone .
The molecule C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@H](C)CO)C)CN(C)CC3CC3 C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@H](C)CO)C)CN(C)CC3CC3 is N-[(3S,9R,10R)-9-[[cyclopropylmethyl(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]methanesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O1C(CC=2C1=CC(OC3OC(C(O)C(O)C3O)C(O)=O)=C4C2OC(=O)C=C4CC=C)C(O)(C)C O1C(CC=2C1=CC(OC3OC(C(O)C(O)C3O)C(O)=O)=C4C2OC(=O)C=C4CC=C)C(O)(C)C is 3,4,5-trihydroxy-6-{[8-(2-hydroxypropan-2-yl)-2-oxo-4-(prop-2-en-1-yl)-2H,8H,9H-furo[2,3-h]chromen-5-yl]oxy}oxane-2-carboxylic acid.  It is also related to or classified as glycoside  . It is also related to or classified as coumarins .
The molecule CN(C1=C2C(NC=C2)=NC=N1)[C@@H]3[C@@H](CCN(C3)C(N4CCCC4)=O)C CN(C1=C2C(NC=C2)=NC=N1)[C@@H]3[C@@H](CCN(C3)C(N4CCCC4)=O)C is A pyrrolopyrimidine that is 7H-pyrrolo[2,3-d]pyrimidine substituted at position 4 by a methyl[(3R,4R)-4-methyl-1-(pyrrolidin-1-ylcarbonyl)piperidin-3-yl]nitrilo group. It is a potent JAK3-selective chemical probe. It has the role of EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor . It is also related to or classified as pyrrolopyrimidine , N-acylpyrrolidine , N-acylpiperidine , tertiary amino compound .
The molecule C1=CC(=O)NC=C1C(=O)CCC(=O)O is a 4-oxo monocarboxylic acid that is succinic acid in which one of the carboxyl hydroxy groups is substituted by a 6-hydroxypyridin-3-yl group. It is a monohydroxypyridine, a 4-oxo monocarboxylic acid and an aromatic ketone. It derives from a succinic acid. It is a conjugate acid of a 4-(6-hydroxypyridin-3-yl)-4-oxobutyrate.
The molecule [H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@@](C)(O)[C@H](O)CCC(C)C [H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@@](C)(O)[C@H](O)CCC(C)C is an  oxysterol that is cholesterol substituted  by hydroxy groups at positions 20 and 22 (the 20R,22R-stereoisomer). It has the role of mouse metabolite . It has the role of human metabolite . It is also related to or classified as 3beta-hydroxy-Delta(5)-steroid  . It is also related to or classified as 3beta-sterol  . It is also related to or classified as 20-hydroxy steroid , 22-hydroxy steroid , cholestanoid , oxysterol .
The molecule O1C(C(O)C(O)C(O)C1OC2=CC=C(C=C2)/C=C/C3=CC(O)=C(\C=C\C(O)(C)C)C(O)=C3)C(O)=O O1C(C(O)C(O)C(O)C1OC2=CC=C(C=C2)/C=C/C3=CC(O)=C(\C=C\C(O)(C)C)C(O)=C3)C(O)=O is 6-{4-[(E)-2-{3,5-dihydroxy-4-[(1E)-3-hydroxy-3-methylbut-1-en-1-yl]phenyl}ethenyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid. It is also related to or classified as glycoside  . It is also related to or classified as stilbenoid .
The molecule CC(C1=C2N(N=C1)C(NCC3=CC=CC=C3N4N=CC=C4)=NC(OC5CCCNC5)=N2)C CC(C1=C2N(N=C1)C(NCC3=CC=CC=C3N4N=CC=C4)=NC(OC5CCCNC5)=N2)C is A pyrazolotriazine that is pyrazolo[1,5-a][1,3,5]triazine substituted by a piperidin-3-yloxy group, [2-(1H-pyrazol-1-yl)benzyl]nitrilo group and an isopropyl group at positions 2, 4 and 8 respectively. It is a potent and selective CDK7 inhibitor and exhibits antiviral activity. It has the role of antiviral agent . It has the role of antineoplastic agent . It has the role of apoptosis inducer . It has the role of EC 2.7.11.22 (cyclin-dependent kinase) inhibitor . It is also related to or classified as pyrazolotriazine  . It is also related to or classified as piperidines , pyrazoles , aromatic ether , secondary amino compound .
The molecule COC1=C(C(=C2C(=O)CC(OC2=C1)C3=CC=C(C=C3)O)OC)O is a dimethoxyflavanone that is flavanone substituted by methoxy groups at positions 5 and 7 and hydroxy groups at positions 6 and 4'. It is a dimethoxyflavanone, a dihydroxyflavanone and a member of 4'-hydroxyflavanones. It derives from a flavanone.
The molecule NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O is 2-Deoxy-D-streptamine glycosylated at the 4-oxygen with a 6-amino-alpha-D-glucosaminyl group. It has the role of antibacterial agent . It is also related to or classified as aminoglycoside , 2,6-dideoxy-alpha-D-glucoside .
The molecule C(O)([C@@H](NC(C)=O)CSC(C(O)=O)CC(=O)O)=O C(O)([C@@H](NC(C)=O)CSC(C(O)=O)CC(=O)O)=O is an N-acetyl-L-amino acid that is L-cysteine in which the hydrogen of the thiol group has been replace by a 1,2-dicarboxyethyl group. The first metabolite in the disposal of S-(2-succino)-L-cysteine by Bacillus subtilis. It is a conjugate acid of N-acetyl-S-(2-succino)-L-cysteine(3-) . It is also related to or classified as N-acetyl-L-amino acid , tricarboxylic acid , L-cysteine derivative .
The molecule CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H]([C@@H](CCCCCCCCCCC(C)C)O)O)O is an N-acyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine in which the acyl group has 28 carbons and 0 double bonds and is 2-hydroxylated. It derives from a 15-methylhexadecaphytosphingosine.
The molecule CC1=CC=CC=C1S(=O)(=O)N2CCCCN3[C@H](C2)[C@H]([C@H]3CO)C4=CC=C(C=C4)C#CCN(C)C CC1=CC=CC=C1S(=O)(=O)N2CCCCN3[C@H](C2)[C@H]([C@H]3CO)C4=CC=C(C=C4)C#CCN(C)C is [(8S,9R,10S)-9-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule O=C1C(OC2=C(C(O)=CC(=C2)C)C)=C(C(=O)C(=C1C)O)C O=C1C(OC2=C(C(O)=CC(=C2)C)C)=C(C(=O)C(=C1C)O)C is Aculeatusquinone A. It is also related to or classified as xylene  . It is also related to or classified as phenols  .
The molecule C([O-])([C@@H](NC(C)=O)CSC(C([O-])=O)CC(=O)[O-])=O C([O-])([C@@H](NC(C)=O)CSC(C([O-])=O)CC(=O)[O-])=O is A tricarboxylic acid trianion resulting from the deprotonation of all three hydroxy groups of N-acetyl-S-(2-succino)-L-cysteine. The major species at pH 7.3. It is also related to or classified as tricarboxylic acid trianion .
The molecule C[C@@H]1OC(=O)/C=C/[C@H]([C@@H](OC(=O)[C@H](CC(=O)CC1)C2(C(=O)O[C@H](CC2=O)C)[C@@H]3C(=O)O[C@H]([C@@H](/C=C/C(=O)O[C@H](CCC(=O)C3)C)O)C)C)O is a macrodiolide consisting of two (3E,5R,6S,9R,14S)-5-hydroxy-6,14-dimethyl-2,8,11-trioxo-1,7-dioxacyclotetradec-3-en-9-yl attached to position 1 of (6S)-6-methyldihydro-2H-pyran-2,4(3H)-dione. Isolated from a culture of Acaulium sp. H-JQSF associated with the isopod Armadillidium vulgare. It has a role as an osteogenesis regulator and a bone density conservation agent. It is a macrodiolide, a triketone, a secondary alcohol and a cyclic ketone.
The molecule COc1ccc(Cl)cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1 COc1ccc(Cl)cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1 is an N-sulfonylurea that is acetohexamide in which the acetyl group is replaced by a 2-(5-chloro-2-methoxybenzamido)ethyl group. It has the role of EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor . It has the role of hypoglycemic agent . It has the role of anti-arrhythmia drug . It has the role of EC 2.7.1.33 (pantothenate kinase) inhibitor . It is also related to or classified as N-sulfonylurea  . It is also related to or classified as monochlorobenzenes .
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)S(=O)(=O)C3=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)S(=O)(=O)C3=CC=CC=C3 is N-[(3R,9R,10R)-9-[[benzenesulfonyl(methyl)amino]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-(dimethylamino)butanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O1C(C(O)C(O)C(O)C1OC2=C3C(OC=C(C3=O)C4=CC(OC)=C(OC)C=C4)=C(C(OC)=C2)C)COC5OC(C(O)C(O)C5O)C(O)=O O1C(C(O)C(O)C(O)C1OC2=C3C(OC=C(C3=O)C4=CC(OC)=C(OC)C=C4)=C(C(OC)=C2)C)COC5OC(C(O)C(O)C5O)C(O)=O is 6-[(6-{[3-(3,4-dimethoxyphenyl)-7-methoxy-8-methyl-4-oxo-4H-chromen-5-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid. It is also related to or classified as acrovestone  . It is also related to or classified as isoflavonoid .
The molecule N[C@H]([C@@H](O)[C@@H](O)[C@H](O)CO)C(O)=O N[C@H]([C@@H](O)[C@@H](O)[C@H](O)CO)C(O)=O is the D-stereoisomer of galactosaminic acid. It is a conjugate acid of D-galactosaminate . It is also related to or classified as galactosaminic acid .
The molecule C1CC1CC(=O)N2CC3(C2)[C@@H]([C@H](N3S(=O)(=O)CC4=CC=CC=C4)CO)C5=CC=CC=C5 C1CC1CC(=O)N2CC3(C2)[C@@H]([C@H](N3S(=O)(=O)CC4=CC=CC=C4)CO)C5=CC=CC=C5 is 2-cyclopropyl-1-[(2S,3R)-2-(hydroxymethyl)-3-phenyl-1-(phenylmethyl)sulfonyl-1,6-diazaspiro[3.3]heptan-6-yl]ethanone. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule [H][C@]12C[C@@H](O)[C@](O)([C@@H](C)O1)c1c(O)c3C(=O)C4=C(C(=O)c3c(O)c21)[C@]1([H])OC(=O)C[C@]1([H])OC4C [H][C@]12C[C@@H](O)[C@](O)([C@@H](C)O1)c1c(O)c3C(=O)C4=C(C(=O)c3c(O)c21)[C@]1([H])OC(=O)C[C@]1([H])OC4C is granaticin. It has the role of metabolite . It has the role of antineoplastic agent .  It is also related to or classified as benzoisochromanequinone  . It is also related to or classified as p-quinones .
The molecule C1C[C@@H]2CN(C(=O)C3=CC=CC(=C23)C1)[C@@H]4C[NH+]5CCC4CC5 is an organic cation obtained by protonation of the endocyclic tertiary amino group of palonosetron. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of a palonosetron.
The molecule COc1cc(\C=C\C(=O)OC[C@H]2O[C@@H](Oc3cc4c(C[C@@H](C([O-])=O)\[N+]4=C/C=C4C[C@H](NC(=C\4)C(O)=O)C(O)=O)cc3O)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O COc1cc(\C=C\C(=O)OC[C@H]2O[C@@H](Oc3cc4c(C[C@@H](C([O-])=O)\[N+]4=C/C=C4C[C@H](NC(=C\4)C(O)=O)C(O)=O)cc3O)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O is Gomphrenin-V. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule COc1cc(\C=C\C(=O)OCCCCCCCCCCCCCCCC(O)=O)ccc1O COc1cc(\C=C\C(=O)OCCCCCCCCCCCCCCCC(O)=O)ccc1O is the O-feruloyl derivative of 16-hydroxyhexadecanoic acid. Its functional parent is trans-ferulic acid . It is a conjugate acid of 16-feruloyloxypalmitate . It is also related to or classified as monocarboxylic acid .
The molecule CC[C@]12CCCN3[C@H]1[C@@]4(CC3)[C@@H](CC2)N(C5=C4C=CC=C5OC)C(=O)C is an indole alkaloid having the structure of aspirospermidine methoxylated at C-17 and acetylated at N-1. It derives from a hydride of an aspidospermidine.
The molecule C[C@]12CC3=C([C@H]([C@H]1O)C(=O)O2)C(=O)C4=C(C=CC=C4O3)O is a member of the class of xanthones that is agnestin A in which the double bond between positions 3 and 4 has been reduced and the carboxlic acid group at position 1 forms a single bond with the carbon atom at position 3 resulting in a cyclic ester. It has been isolated from the fungus Paecilomyces variotti. It has a role as a fungal metabolite. It is a member of phenols, a member of xanthones, a secondary alcohol, a gamma-lactone and an organic heterotetracyclic compound.
The molecule N[C@@H](CS\C(Cl)=C/Cl)C(O)=O N[C@@H](CS\C(Cl)=C/Cl)C(O)=O is an S-(1,2-dichlorovinyl)-L-cysteine in which the dichlorovinyl group has trans- (E-) geometry. It is also related to or classified as S-(1,2-dichlorovinyl)-L-cysteine  .
The molecule C[C@H](CCC[C@H](C)C(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(=O)C4)C)C is a (5alpha)-3-oxocholestan-26-oic acid that has S configuration at position 25 (the carbon attached to the carboxy group). It is a conjugate acid of a (25S)-dafachronate.
The molecule C[C@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OCC[C@H]3CC[C@H]([C@H](O3)CN(C1=O)C)OC)C)OC C[C@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OCC[C@H]3CC[C@H]([C@H](O3)CN(C1=O)C)OC)C)OC is LSM-40905. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC#CCN1C2=C(N=C1N3CCC[C@H](C3)N)N(C(=O)N(C2=O)CC4=NC5=CC=CC=C5C(=N4)C)C is a xanthine that is 7H-xanthine bearing (4-methylquinazolin-2-yl)methyl, methyl, but-2-yn-1-yl and 3-aminopiperidin-1-yl substituents at positions 1, 3, 7 and 8 respectively (the R-enantiomer). Used for treatment of type II diabetes. It has a role as an EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor and a hypoglycemic agent. It is a member of quinazolines and an aminopiperidine. It derives from a 7H-xanthine.
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(=O)NC4=CC=CC5=CC=CC=C54 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(=O)NC4=CC=CC5=CC=CC=C54 is N-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-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 OC12C(C3(C(CC1)CC4=C3NC=5C4=CC6=C(C5)C=7C(C6O)C(OC(C7)(C)C)(C)C)C)(CCC8OC(C(OC(=O)C)C=C28)C(O)(C)C)C OC12C(C3(C(CC1)CC4=C3NC=5C4=CC6=C(C5)C=7C(C6O)C(OC(C7)(C)C)(C)C)C)(CCC8OC(C(OC(=O)C)C=C28)C(O)(C)C)C is Janthitrem F. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule CNC(=O)C(CCN1CCC(CC1)(C2=CC=C(C=C2)Cl)O)(C3=CC=CC=C3)C4=CC=CC=C4 is a monocarboxylic acid amide that is the methylamide of 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylbutanoic acid. It has a role as a drug metabolite. It is a member of piperidines, a tertiary alcohol, a monocarboxylic acid amide and a member of monochlorobenzenes.
The molecule CC(C)CO CC(C)CO is an alkyl alcohol that is propan-1-ol substituted by a methyl group at position 2. It has the role of Saccharomyces cerevisiae metabolite . It is also related to or classified as primary alcohol  . It is also related to or classified as alkyl alcohol .
The molecule COc1cc(\C=C\C(=O)OCCCCCCCCCCCCCCCC([O-])=O)ccc1O COc1cc(\C=C\C(=O)OCCCCCCCCCCCCCCCC([O-])=O)ccc1O is A monocarboxylic acid anion that is the conjugate base of 16-feruloyloxypalmitic acid obtained by deprotonation of the carboxy group. It is also related to or classified as monocarboxylic acid anion  .
The molecule CCOC(=O)CC(C)O is the fatty acid ethyl ester of 3-hydroxybutyric acid. It has a role as a metabolite. It derives from a 3-hydroxybutyric acid.
The molecule [C@@](C(O[C@@H]1C[N+](CC1)(C)C)=O)(C2CCCC2)(C=3C=CC=CC3)O.[Br-] [C@@](C(O[C@@H]1C[N+](CC1)(C)C)=O)(C2CCCC2)(C=3C=CC=CC3)O.[Br-] is A glycopyrronium bromide that has (2R,3S)-configuration. The racemate, ritropirronium bromide, is used for treatment of chronic obstructive pulmonary disease. It is also related to or classified as glycopyrronium bromide  .
The molecule CS(=O)(=O)N1C[C@H]2[C@H]([C@@H](N2C(=O)C1)CO)C3=CC=C(C=C3)Br CS(=O)(=O)N1C[C@H]2[C@H]([C@@H](N2C(=O)C1)CO)C3=CC=C(C=C3)Br is (6R,7R,8R)-7-(4-bromophenyl)-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule COC1=CC=C(C=C1)NC(=O)N2C[C@@H]3[C@H]([C@H](N3C(=O)C2)CO)C4=CC=C(C=C4)Br COC1=CC=C(C=C1)NC(=O)N2C[C@@H]3[C@H]([C@H](N3C(=O)C2)CO)C4=CC=C(C=C4)Br is (6S,7R,8S)-7-(4-bromophenyl)-8-(hydroxymethyl)-N-(4-methoxyphenyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule C[C@@H]1OC(O)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O C[C@@H]1OC(O)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O is A glycosylrhamnose having a galactosyl residue attached to rhamnose via a beta-(1->4)-linkage. It is also related to or classified as glycosylrhamnose .
The molecule CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\\C)/C=C/C=C(\\C)/C=C/C(=O)C)/C)/C is an apo carotenoid compound arising from oxidative degradation of the beta,beta-carotene skeleton at the 1'- and 6'-positions. It has a role as a food colouring. It is an apo carotenoid and an enone.