anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CN1CCC(=C2C3=C(CCC4=CC=CC=C42)SC=C3)CC1.C(=C\\C(=O)O)\\C(=O)O is a maleate salt obtained by reaction of pizotifen with one equivalent of maleic acid. It has a role as a histamine antagonist, a muscarinic antagonist and a serotonergic antagonist. It contains a pizotifen(1+).
The molecule CC(=CCC/C(=C/CC/C(=C/COC1=C(C=C2C(=C1O)CNC2=O)OC)/C)/C)C is a member of the class of isoindoles that is isoindolin-1-one which is substituted at positions 4, 5 and 6 by hydroxy, triprenyloxy and methoxy groups, respectively. The alkaloid was isolated from the model fungus Aspegillus nidulans. It has a role as a metabolite. It is an alkaloid, a member of isoindoles, a gamma-lactam and a member of phenols. It contains a 2-trans,6-trans-farnesyl group.
The molecule C/C(=C\\CNC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)/CO is a 9-ribosylzeatin having trans-zeatin as the nucleobase. It has a role as a plant metabolite and a cytokinin. It is a nucleoside analogue and a 9-ribosylzeatin. It derives from an adenosine.
The molecule CCC1=NC=CC(=C1)C(=S=O)N is a member of the class of pyridines that is the S-oxide and active metabolite of the antitubercular drug ethionamide. It has a role as a human xenobiotic metabolite, an antilipemic drug, an antitubercular agent, a fatty acid synthesis inhibitor and a leprostatic drug. It derives from an ethionamide.
The molecule COC1=C(C2=C(C[C@@H](CO2)C3=C(C(=C(C=C3)OC)OC)OC)C=C1)OC COC1=C(C2=C(C[C@@H](CO2)C3=C(C(=C(C=C3)OC)OC)OC)C=C1)OC is (3R)-7,8-dimethoxy-3-(2,3,4-trimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule C/C/1=C\\CCC(=C)[C@@H]2C[C@]([C@H]2CC1)(C)C(=O)CC=C(C)C is a diterpenoid of the xeniaphyllane type isolated from Sinularia gibberosa and has been shown to exhibit antineoplastic activity. It has a role as a metabolite and an antineoplastic agent. It is a diterpenoid and a ketone.
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)O)O is a UDP-amino sugar having N-acetyl-2-amino-2-deoxy-D-glucuronic acid as the sugar component. It derives from a D-glucuronic acid. It is a conjugate acid of an UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate and an UDP-2-acetamido-2-deoxy-D-glucuronate(3-).
The molecule BrCc1cc(=O)oc2c3CCCN4CCCc(cc12)c34 BrCc1cc(=O)oc2c3CCCN4CCCc(cc12)c34 is cellTracker violet BMQC. It has the role of fluorochrome . It is also related to or classified as organobromine compound  .
The molecule CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCCCC)O is a dihydroceramide in which the ceramide N-acyl group is specified as hexadecanoyl (palmitoyl). It has a role as a mouse metabolite. It is a N-acylsphinganine, a Cer(d34:0) and a N-palmitoyl-sphingoid base. It derives from a hexadecanoic acid.
The molecule C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)C(=O)CC3=CN=CC=C3 C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)C(=O)CC3=CN=CC=C3 is 2-methoxy-N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[1-oxo-2-(3-pyridinyl)ethyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C=1C=CC=CC1C2=COC(=C2)C3=CC=CC=C3 C=1C=CC=CC1C2=COC(=C2)C3=CC=CC=C3 is A diphenylfuran in the the phenyl groups are located at positions 2 and 4 on the furan ring. It is also related to or classified as diphenylfuran  .
The molecule CC1=C(C(=CC=C1)C)NC2=NCCCS2.Cl is the hydrochloride salt of xylazine. It is used as a sedative, analgesic, and muscle relaxant in veterinary medicine. It has a role as an alpha-adrenergic agonist, an analgesic, an emetic, a muscle relaxant and a sedative. It contains a xylazine(1+).
The molecule NS(=O)(=O)Cc1noc2ccccc12 NS(=O)(=O)Cc1noc2ccccc12 is A 1,2-benzoxazole compound having a sulfamoylmethyl substituent at the 3-position. It has the role of T-type calcium channel blocker . It has the role of antioxidant . It has the role of central nervous system drug . It has the role of anticonvulsant . It has the role of protective agent . It is also related to or classified as sulfonamide  . It is also related to or classified as 1,2-benzoxazoles .
The molecule C1=CC2=C(C=C1O)OC(=O)C(=C2O)N is a hydroxycoumarin that is 4,7-dihydroxycoumarin bearing an additional amino substituent at positions 3. It has a role as a metabolite. It is a conjugate acid of a 3-amino-4,7-dihydroxycoumarin(1-).
The molecule C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])[O-])OP(=O)([O-])OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C5N=C(NC6=O)N)O)O)O)N is a dinucleotide comprising adenosine and guanosine connected by a 3'->5 linkage and with a phosphoric group at the 5'-terminus; major species at pH 7.3.
The molecule CC(=O)N[C@@H]1[C@H]([C@H]([C@H](OC1O)CO)OS(=O)(=O)O)O[C@H]2[C@@H]([C@H](C(=C(O2)C(=O)O)O)O)O is an oligsaccharide sulfate that is 2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose in which the hydroxy group at position 3 has been converted into the corresponding alpha-L-threo-hex-4-enopyranosidurosyl derivative. It is a member of acetamides, an amino disaccharide, a monocarboxylic acid and an oligosaccharide sulfate.
The molecule C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)C(=O)N(C[C@@H]1OC)C)C C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)C(=O)N(C[C@@H]1OC)C)C is 1-[(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]-3-[4-(trifluoromethyl)phenyl]urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC(=CCC/C(=C/CC/C(=C/CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\COP(=O)([O-])OP(=O)([O-])O[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@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O)O)O)O)O)O)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C is an organophosphate oxoanion that is the trianion of beta-D-GlcA-(1->2)-alpha-D-Man-(1->3)-beta-D-Glc-(1->4)-alpha-D-Glc-1-diphospho-ditrans,polycis-undecaprenol arising from deprotonation of both free diphosphate OH groups and the carboxy group of the glucuronic acid residue; major species at pH 7.3. It is a conjugate base of a beta-D-GlcA-(1->2)-alpha-D-Man-(1->3)-beta-D-Glc-(1->4)-alpha-D-Glc-1-diphospho-ditrans,polycis-undecaprenol.
The molecule C1=CC=C2C(=C1)C(=O)C(=C(C2=O)[O-])CCO.[Na+] is an organic sodium salt which is the monosodium salt of 2-hydroxy-3-(2-hydroxyethyl)naphthalene-1,4-dione. It is isolated from the aerial parts of Impatiens balsamina and acts as a selective inhibitor of cyclooxygenase 2 (COX-2) enzyme. It has a role as a metabolite and a cyclooxygenase 2 inhibitor. It contains a 3-(2-hydroxyethyl)-1,4-dioxo-1,4-dihydronaphthalen-2-olate.
The molecule CC1=C(N2C(=O)C3=C(N=C2N1)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)CC[C@@H](C(=O)[O-])[NH3+] is an amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of 4-demethyl-7-(3-amino-3-carboxypropyl)wyosine 5'-monophosphate. It is a tautomer of a 4-demethyl-7-(3-amino-3-carboxypropyl)wyosine 5'-monophosphate.
The molecule CC1=CN=C2C(=O)NC(=O)N=C2N1CCO is a pteridine that is lumazine substituted with a 2-hydroxyethyl group at position 8 and a methyl group at position 7; one of 20 modifications to the potent microbial riboflavin-based metabolite antigen 5-(2-oxopropylideneamino)-6-D-ribityl aminouracil (5-OP-RU), an activator of mucosal-associated invariant T (MAIT) cells when presented by the MR1 protein (reported in MED:32123373). It derives from a lumazine.
The molecule C1C2=CC=CC=C2C(=O)C3=CC=CC=C31 is a member of the class of anthracenes that is 9,10-dihydroanthracene carrying an oxo group at C-9. It has a role as a radical scavenger. It is a tautomer of a 9-anthrol.
The molecule C1=CC(=C(C(=C1)Cl)C2=NC3=C(C=C2)C=C(C=C3)CC(C(=O)O)OC(=O)C4=C(C=CC=C4Cl)Cl)Cl is a member of quinolines, a dichlorobenzene, a monocarboxylic acid and a carboxylic ester. It contains a 2,6-dichlorobenzoyl group. It derives from a rac-lactic acid.
The molecule CCCCCCOC(=O)CC is a propanoate ester of hexan-1-ol. It has a role as a metabolite. It is a propanoate ester and a fatty acid ester. It derives from a hexan-1-ol.
The molecule CCCC#CC1=CC2=C(C=C1)S(=O)(=O)N(C[C@@H]([C@@H](O2)CN(C)C(=O)CN(C)C)C)[C@@H](C)CO CCCC#CC1=CC2=C(C=C1)S(=O)(=O)N(C[C@@H]([C@@H](O2)CN(C)C(=O)CN(C)C)C)[C@@H](C)CO is 2-(dimethylamino)-N-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylacetamide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CN1N=C(N=N1)C2=NC=C(C=C2)C3=C(C=C(C=C3)N4C[C@@H](OC4=O)CO)F is a member of the class of pyridines that is pyridine which is substituted by a 2-methyl-2H-tetrazol-5-yl group at position 2 and by a 2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl group at position 5. It is used as its phosphate pro-drug used for the treatment of acute bacterial skin and skin structure infections caused by certain susceptible bacteria, including Staphylococcus aureus (including methicillin-resistant strains (MRSA) and methicillin-susceptible strains), various Streptococcus species, and Enterococcus faecalis. It has a role as an antimicrobial agent, a drug metabolite and a protein synthesis inhibitor. It is a member of pyridines, a member of tetrazoles, an organofluorine compound, an oxazolidinone, a primary alcohol and a carbamate ester.
The molecule C1=CC(=CC=C1CCC2=CC(=CC(=C2)OS(=O)(=O)O)O)O is an organic sulfate that consists of dihydroresveratrol substituted by a sulfate group at position 3. It is a metabolite of dihydroresveratrol.
The molecule CSC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O is adenosine with the hydroxy group at C-5' substituted with a methylthio (methylsulfanyl) group. It has a role as a human metabolite, an algal metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a mouse metabolite. It derives from an adenosine.
The molecule COC(=O)COc1ccc(cc1)C1=[N+]2C(C=C1)=Cc1ccc(-c3cccs3)n1[B-]2(F)F COC(=O)COc1ccc(cc1)C1=[N+]2C(C=C1)=Cc1ccc(-c3cccs3)n1[B-]2(F)F is BODIPY TR methyl ester. It has the role of fluorochrome . Its functional parent is 4,4-difluoro-4-bora-3a,4a-diaza-s-indacene . It is also related to or classified as methyl ester  . It is also related to or classified as BODIPY dye .
The molecule C[C@H]1CCC[C@]2(C1=C[C@H]3[C@@H](C2)OC(=O)C3=C)C is a sesquiterpene lactone that is 3a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2-one bearing two methyl substituents at positions 5 and 8a as well as a methylidene substituent at position 3. It has a role as a plant metabolite, an apoptosis inducer and an antineoplastic agent. It is a sesquiterpene lactone, a naphthofuran and an olefinic compound.
The molecule C1=C(C=C(C=C1O)O)C(=O)C(=O)O is a 2-oxo monocarboxylic acid that is glyoxylic acid in which the aldehyde hydrogen is substituted by a 3,5-dihydroxyphenyl group. It is a 2-oxo monocarboxylic acid and a member of resorcinols. It derives from a glyoxylic acid.
The molecule O=C/1N[C@H](C(=O)N\C1=C/C=2C3=C(C=C(CC=C(C)C)C=C3)NC2C(C=C)(C)C)C O=C/1N[C@H](C(=O)N\C1=C/C=2C3=C(C=C(CC=C(C)C)C=C3)NC2C(C=C)(C)C)C is Neoechinulin D. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C=1C=CC=CC1[C@H](C(C)=O)O C=1C=CC=CC1[C@H](C(C)=O)O is A 1-hydroxy-1-phenylpropan-2-one that has (R)-configuration. It is used as a precursor for the production of ephedrine and pseudoephedrine. It has the role of Saccharomyces cerevisiae metabolite . It is also related to or classified as 1-hydroxy-1-phenylpropan-2-one  .
The molecule C[C@H]1[C@@H]2[C@H](CC(=C3[C@@H]([C@H]2OC1=O)C(=CC3=O)COC(=O)C(=O)O)C)OC(=O)CC4=CC=C(C=C4)O is a sesquiterpene lactone obtained by formal condensation of one of the carboxy groups of oxalic acid with the 15-hydroxy group of 11beta,13-dihydrolactucopicrin. Found in chicory. It has a role as a plant metabolite. It is an azulenofuran, a cyclic terpene ketone, an enone, an oxo monocarboxylic acid, a member of phenols and a sesquiterpene lactone. It derives from a 4-hydroxyphenylacetic acid, a lactucin and an oxalic acid.
The molecule C1=CC([C@@H]([C@H]1C/C=C\CCCC([O-])=O)/C=C/[C@@H](O)CCCCC)=O C1=CC([C@@H]([C@H]1C/C=C\CCCC([O-])=O)/C=C/[C@@H](O)CCCCC)=O is A prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin J2, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as prostaglandin carboxylic acid anion .
The molecule CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O[C@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCS CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O[C@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCS is an adenosine 5'-phosphate derivative that has the structure of coenzyme A dephosphorylated at C-3' and with a 5-triphospho-alpha-D-ribosyl substituent at C-2'. Its functional parent is coenzyme A . It is a conjugate acid of 2'-(5-triphosphoribosyl)-3'-dephospho-CoA(6-) . It is also related to or classified as adenosine 5'-phosphate .
The molecule Cn1ccc(N)nc1=O Cn1ccc(N)nc1=O is A pyrimidone that is cytosine in which the hydrogen attached to the nitrogen at position 1 is substituted by a methyl group. It has the role of metabolite . Its functional parent is cytosine . It is also related to or classified as methylcytosine , pyrimidone , aminopyrimidine .
The molecule C1=CC(=O)C(C(=C1)C(=O)[O-])N is a 4-oxo monocarboxylic acid anion that is 2,3-dihydro-3-oxo tautomer of 3-hydroxyanthranilate and results from the removal of a proton from the carboxylic acid group of 2,3-dihydro-3-oxoanthranilic acid. It is a 4-oxo monocarboxylic acid anion and an oxo monocarboxylic acid anion. It is a conjugate base of a 2,3-dihydro-3-oxoanthranilic acid. It is a tautomer of a 3-hydroxyanthranilate.
The molecule C1(COP([O-])([O-])=O)=C(CC[C@@]2([C@]1(C)CCCC2(C)C)[H])C C1(COP([O-])([O-])=O)=C(CC[C@@]2([C@]1(C)CCCC2(C)C)[H])C is major species at pH 7.3. Its functional parent is drimenol . It is also related to or classified as octahydronaphthalenes , sesquiterpenoid , organophosphate oxoanion .
The molecule C1CCCN(CC1)C2=NC(=C(N=C2Cl)C(=O)N=C(N)N)N is a member of the class of pyrazines that is amiloride in which the two amino hydrogens at position N-5 are replaced by a hexamethylene moiety, resulting in the formation of an azepane ring. It has a role as a sodium channel blocker, an apoptosis inducer, an antineoplastic agent and an odorant receptor antagonist. It is a member of pyrazines, an organochlorine compound, a member of azepanes, a member of guanidines, an aromatic amine and a monocarboxylic acid amide. It derives from an amiloride.
The molecule C([C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O)O is a gulonic acid formed by oxidising the aldehyde group of L-gulose to a carboxylic acid group. It is a conjugate acid of a L-gulonate. It is an enantiomer of a D-gulonic acid.
The molecule CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC1=C(C(=CC(=C1)O)OC)O)/C)/C)/C)/C)/C)/C)/C)C is a polyprenylhydroquinone in which the polyprenyl substituent is octaprenyl at C-2; a methoxy group is also present at C-6. It is a polyprenylhydroquinone and a member of hydroquinones.
The molecule OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](COP(O)(O)=O)[C@H](O)[C@H](O)[C@H]1O OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](COP(O)(O)=O)[C@H](O)[C@H](O)[C@H]1O is A lactose phosphate in which a single monophosphate substituent is placed at position 6 on the galactose ring of lactose. It has the role of mouse metabolite . Its functional parent is lactose . It is a conjugate acid of lactose 6-phosphate(2-) . It is also related to or classified as lactose phosphate .
The molecule CCC(C)CC\C=C(/C)C(=O)NC1=C[C@@](O)(\C=C\C=C\C=C\C(=O)NC2=C(O)CCC2=O)[C@H](O)CC1=O CCC(C)CC\C=C(/C)C(=O)NC1=C[C@@](O)(\C=C\C=C\C=C\C(=O)NC2=C(O)CCC2=O)[C@H](O)CC1=O is A polyene antibiotic that is TMC-1A in which the 2,4-dimethyloct-2-enoyl group has been replaced by a (2E)-2,6-dimethyloct-2-enoyl group. TMC-1B is an antitumour antibiotic isolated from Streptomyces sp. A-230. It has the role of antineoplastic 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 tertiary alcohol  . It is also related to or classified as enol  . It is also related to or classified as secondary alcohol  .  It is also related to or classified as enone  . It is also related to or classified as enamide  . It is also related to or classified as polyene antibiotic , cyclic ketone .
The molecule [H][C@]12Cc3c(n(C)c4cc5O[C@]6(C)OC[C@@]7([H])[C@]8([H])Cc9c(n(C)c%10ccccc9%10)[C@]([H])(C[C@@]7([H])[C@]6([H])Cc5cc34)N8C)[C@]3([H])C[C@@]([H])([C@H]1CO)C(=CN23)[C@H](C)O [H][C@]12Cc3c(n(C)c4cc5O[C@]6(C)OC[C@@]7([H])[C@]8([H])Cc9c(n(C)c%10ccccc9%10)[C@]([H])(C[C@@]7([H])[C@]6([H])Cc5cc34)N8C)[C@]3([H])C[C@@]([H])([C@H]1CO)C(=CN23)[C@H](C)O is lumutinine C. It has the role of metabolite . It is also related to or classified as indole alkaloid .
The molecule CCCCC(C)\C=C(/C)C(=O)NC1=C[C@@](O)(\C=C\C=C\C=C\C(=O)NC2=C(O)CCC2=O)[C@H](O)CC1=O CCCCC(C)\C=C(/C)C(=O)NC1=C[C@@](O)(\C=C\C=C\C=C\C(=O)NC2=C(O)CCC2=O)[C@H](O)CC1=O is A polyene antibiotic that is 2-amino-4,5-dihydroxycyclohex-2-en-1-one in which the hydrogen at position 4 is replaced by a by an all-E-6-carboxyhexa-1,3,5-trien-1-yl group; in which the amino group has been acylated by a (2E)-2,4-dimethyloct-2-enoyl group; and in which the carboxy group of the resulting carboxylic acid has been condensed with the amino group of 2-amino-3-hydroxycyclopent-2-en-1-one to give the corresponding carboxamide. TMC-1A is an antitumour antibiotic isolated from Streptomyces sp. A-230. It has the role of antineoplastic 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 tertiary alcohol  . It is also related to or classified as enol  . It is also related to or classified as secondary alcohol  .  It is also related to or classified as enone  . It is also related to or classified as enamide  . It is also related to or classified as polyene antibiotic , cyclic ketone .
The molecule [H][C@]12C[C@@]3([H])C(=COC[C@@]3([H])[C@]([H])(Cc3c1n(C)c1c4C[C@@]5([H])[C@]6([H])C[C@]7([H])N(C)[C@@]([H])(Cc8c7n(C)c7ccccc87)[C@]6([H])CO[C@@]5(C)Oc4ccc31)N2C)C(C)=O [H][C@]12C[C@@]3([H])C(=COC[C@@]3([H])[C@]([H])(Cc3c1n(C)c1c4C[C@@]5([H])[C@]6([H])C[C@]7([H])N(C)[C@@]([H])(Cc8c7n(C)c7ccccc87)[C@]6([H])CO[C@@]5(C)Oc4ccc31)N2C)C(C)=O is lumutinine B. It has the role of metabolite . It is also related to or classified as indole alkaloid .
The molecule COC1CC(=O)Nc2cc3NC(=O)CSc3c(CC\C=C(C)/C(O)C(C)C(C\C=C\C=C\C=C\1)OC(=O)C1(CC1)NC(=O)C1=CCCCC1)c2O COC1CC(=O)Nc2cc3NC(=O)CSc3c(CC\C=C(C)/C(O)C(C)C(C\C=C\C=C\C=C\1)OC(=O)C1(CC1)NC(=O)C1=CCCCC1)c2O is an organonitrogen heterocyclic compound that is a 21-membered macrocyclic lactam substituted by a ({1-[(cyclohex-1-en-1-ylcarbonyl)amino]cyclopropyl}carbonyl)oxy group at position 18. It is isolated from Streptomyces sp. TC-1190 and exhibits growth inhibitory effects on a series of human tumour cell lines. It has the role of metabolite . It has the role of antimicrobial agent . It has the role of antineoplastic agent . It is also related to or classified as lactam  . It is also related to or classified as ether  . It is also related to or classified as phenols  . It is also related to or classified as secondary alcohol  .   It is also related to or classified as macrocycle  . It is also related to or classified as organosulfur heterocyclic compound , cyclopropanecarboxylate ester , organonitrogen heterocyclic compound .
The molecule [H][C@]12C[C@@]3([H])C(=COC[C@@]3([H])[C@]([H])(Cc3c1n(C)c1cc4O[C@]5(C)OC[C@@]6([H])[C@]7([H])Cc8c(n(C)c9ccccc89)[C@]([H])(C[C@@]6([H])[C@]5([H])Cc4cc31)N7C)N2C)C(C)=O [H][C@]12C[C@@]3([H])C(=COC[C@@]3([H])[C@]([H])(Cc3c1n(C)c1cc4O[C@]5(C)OC[C@@]6([H])[C@]7([H])Cc8c(n(C)c9ccccc89)[C@]([H])(C[C@@]6([H])[C@]5([H])Cc4cc31)N7C)N2C)C(C)=O is lumutinine A. It has the role of metabolite . It is also related to or classified as indole alkaloid .
The molecule COC1CC(=O)Nc2c(O)c(CC\C=C(C)/C(O)C(C)C(C\C=C\C=C\C=C\1)OC(=O)C1(CC1)NC(=O)C1=CCCCC1)cc1NC(=O)CSc21 COC1CC(=O)Nc2c(O)c(CC\C=C(C)/C(O)C(C)C(C\C=C\C=C\C=C\1)OC(=O)C1(CC1)NC(=O)C1=CCCCC1)cc1NC(=O)CSc21 is an organonitrogen heterocyclic compound that is a 21-membered macrocyclic lactam, substituted by a ({1-[(cyclohex-1-en-1-ylcarbonyl)amino]cyclopropyl}carbonyl)oxy group at position 17, which is obtained from Streptomyces sp. TC-1190. It exhibits growth inhibitory effects on a series of human tumour cell lines. It has the role of metabolite . It has the role of antimicrobial agent . It has the role of antineoplastic agent . It is also related to or classified as lactam  . It is also related to or classified as ether  . It is also related to or classified as phenols  . It is also related to or classified as secondary alcohol  .   It is also related to or classified as macrocycle  . It is also related to or classified as organosulfur heterocyclic compound , cyclopropanecarboxylate ester , organonitrogen heterocyclic compound .
The molecule [H][C@]12CCc3cocc3[C@]1(C)CC[C@@]1([H])[C@](C)(CCC[C@]21C)C(O)=O [H][C@]12CCc3cocc3[C@]1(C)CC[C@@]1([H])[C@](C)(CCC[C@]21C)C(O)=O is A tetracyclic diterpenoid that is 3b,4,5,5a,6,7,8,9,9a,9b,10,11-dodecahydrophenanthro[1,2-c]furan substituted by methyl groups at positions 3b, 6 and 9 and a carboxy group at position 6. Isolated from Spongia, it exhibits inhibitory activity against androgen receptor. It has the role of metabolite . It has the role of androgen antagonist . It is also related to or classified as monocarboxylic acid , cyclic ether , tetracyclic diterpenoid .
The molecule CCCCCCC(O)C(O)\C=C\C(O)CCCCCCC(=O)OC CCCCCCC(O)C(O)\C=C\C(O)CCCCCCC(=O)OC is tianshic acid methyl ester. It has the role of plant metabolite . It is also related to or classified as fatty acid methyl ester  .
The molecule COC(CC1=CC[C@]2(C)[C@@H](C)CCC[C@]2(C)C1=O)OC COC(CC1=CC[C@]2(C)[C@@H](C)CCC[C@]2(C)C1=O)OC is aignopsane ketal. It has the role of metabolite . It is also related to or classified as enol ether  . It is also related to or classified as enone  .
The molecule CCCCCCC(O)C(O)\C=C\C(O)CCCCCCC(O)=O CCCCCCC(O)C(O)\C=C\C(O)CCCCCCC(O)=O is an  olefinic fatty acid that is (9E)-octadec-9-enoic acid substituted by hydroxy groups at positions 8, 11 and 12. It has been isolated from Allium fistulosum and Ophiopogon japonicus. It has the role of antifungal agent . It has the role of plant metabolite . It is also related to or classified as hydroxy monounsaturated fatty acid , olefinic fatty acid .
The molecule [H][C@]12CC=C[C@@]([H])(C\C=C/C(=O)O[C@H]3C[C@@]([H])(O[C@]3(OC)\C=C\[C@@H]3CC(C)=CCO3)[C@@H](O)[C@@H](O)CC(=C)C[C@H](C)C1)O2 [H][C@]12CC=C[C@@]([H])(C\C=C/C(=O)O[C@H]3C[C@@]([H])(O[C@]3(OC)\C=C\[C@@H]3CC(C)=CCO3)[C@@H](O)[C@@H](O)CC(=C)C[C@H](C)C1)O2 is 20-methoxy-fijianolide A. It has the role of metabolite . It is also related to or classified as macrolide  .
The molecule C\C=C\c1ccc(O[C@@H](C)[C@H](O)c2ccc(O)cc2)cc1 C\C=C\c1ccc(O[C@@H](C)[C@H](O)c2ccc(O)cc2)cc1 is threo-(7S,8R)-1-(4-hydroxyphenyl)-2-[4-(E)-propenylphenoxy]-propan-1-ol. It has the role of metabolite . It is also related to or classified as phenylpropanoid .
The molecule C[C@@H](CC[C@@H](O)CCCC(=O)c1csc(=O)[nH]1)\C=C/C=C/CC\C(C)=C/C(O)=O C[C@@H](CC[C@@H](O)CCCC(=O)c1csc(=O)[nH]1)\C=C/C=C/CC\C(C)=C/C(O)=O is apo latrunculin T. It has the role of metabolite . It is also related to or classified as long-chain fatty acid  .