anonymous041/ChEBI-Augmented huggingface dataset:
The molecule Cl.[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OCCN(CC)CC Cl.[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OCCN(CC)CC is A hydrochloride obtained by reaction of 3beta-(2-diethylaminoethoxy)androst-5-en-17-one with one equivalent of hydrochloric acid. It is a cholesterol synthesis and transport inhibitor. It has the role of Hedgehog signaling pathway inhibitor . It has the role of antiviral agent . It has the role of nicotinic antagonist . It has the role of EC 1.3.1.72 (Delta(24)-sterol reductase) inhibitor . It has the role of sterol biosynthesis inhibitor . It is also related to or classified as hydrochloride .
The molecule O([C@@H]1[C@@H](N)C[C@@H](N)[C@H](O)[C@H]1O)[C@H]2O[C@@H]([C@@H](O)C[C@H]2N)CN O([C@@H]1[C@@H](N)C[C@@H](N)[C@H](O)[C@H]1O)[C@H]2O[C@@H]([C@@H](O)C[C@H]2N)CN is Nebramine. It is also related to or classified as glycoside  . It is also related to or classified as amino cyclitol .
The molecule C1=COC(=C1)C(=O)[O-] is a furancarboxylate that is the conjugate base of 2-furoic acid. It has a role as a Saccharomyces cerevisiae metabolite, a human xenobiotic metabolite and a bacterial xenobiotic metabolite. It is a conjugate base of a 2-furoic acid.
The molecule O=C(NC1=C(OC)C=CC(=C1)[C@@H](O)[C@H](O)C)C O=C(NC1=C(OC)C=CC(=C1)[C@@H](O)[C@H](O)C)C is (-)-Agaridiol. It is also related to or classified as anilide  . It is also related to or classified as acetamides .
The molecule CCCCCCCCCCCCCCCCCC[C@@H](C)/C=C(\\C)/C(=O)O[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OC(=O)CCCCCCCCCCCCCCC)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)OS(=O)(=O)O)CO)O is a sulfoglycolipid in which alpha,alpha-trehalose, sulfated at the 2'-position, is acylated at the 2-position with palmitic acid, and at the 3-position with (2E,4R)-2,4-dimethyldocos-2-enoic acid. It is a sulfoglycolipid and a polyacyl alpha,alpha-trehalose derivative. It derives from an alpha,alpha-trehalose.
The molecule CC(=C)[C@H]1CC(=O)C(C)=C(C)C1 CC(=C)[C@H]1CC(=O)C(C)=C(C)C1 is A carvone compound comprising (R)-carvone having a 3-methyl substituent. It is also related to or classified as carvones .
The molecule CCC(=O)N1CC2(C1)[C@@H]([C@H](N2C(=O)NC(C)C)CO)C3=CC=CC=C3 CCC(=O)N1CC2(C1)[C@@H]([C@H](N2C(=O)NC(C)C)CO)C3=CC=CC=C3 is (2S,3R)-2-(hydroxymethyl)-6-(1-oxopropyl)-3-phenyl-N-propan-2-yl-1,6-diazaspiro[3.3]heptane-1-carboxamide. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule C\N=[N+](/[O-])CC[C@H](N)C(O)=O C\N=[N+](/[O-])CC[C@H](N)C(O)=O is A non-proteinogenic alpha-amino acid that is (2S)-2-aminobutanoic acid substituted by a (Z)-methyl-NNO-azoxy moiety at position 4. It is an antibiotic isolated from the culture broth of Bacillus cereus and exhibits antifungal activity. It has the role of antimicrobial agent . It has the role of antifungal agent . It has the role of bacterial metabolite . It is also related to or classified as azoxy compound , non-proteinogenic alpha-amino acid .
The molecule O=C(OC)[C@H](OC[C@H]1C(=C)CC[C@@H]2[C@@]1(CCC[C@]2(COC(=O)C)C)C)[C@H](C(=O)OC)CC(=O)O O=C(OC)[C@H](OC[C@H]1C(=C)CC[C@@H]2[C@@]1(CCC[C@]2(COC(=O)C)C)C)[C@H](C(=O)OC)CC(=O)O is Cryptoporic acid Q. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule CCCCCCCC/C=C\\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC)COP(=O)([O-])[O-] is a 1,2-diacyl-sn-glycerol 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-linoleoyl-2-oleoyl-sn-glycero-3-phosphate. It is a conjugate base of a 1-linoleoyl-2-oleoyl-sn-glycero-3-phosphate.
The molecule CNC1=C(C(=O)C(O1)C2=CC=CC=C2)C3=CC(=CC=C3)C(F)(F)F is a member of the class of furans that is furan-3(2H)-one which is substituted at positions 2, 4, and 5 by phenyl, m-(trifluoromethyl)phenyl, and methylamino groups, respectively. It is a member of furans, a cyclic ketone, a secondary amino compound and a member of (trifluoromethyl)benzenes.
The molecule CC(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-])[C@H](C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCC(=O)[O-])O is an acyl-CoA oxoanion that is the pentaanion of decanedioyl-CoA, arising from deprotonation of the phosphate, diphosphate and carboxylic acid OH groups. It is a conjugate base of a decanedioyl-CoA.
The molecule [Na+].[Na+].[H][C@]12SCC(CSc3nnnn3C)=C(N1C(=O)[C@]2(NC(=O)C1SC(S1)=C(C(N)=O)C([O-])=O)OC)C([O-])=O [Na+].[Na+].[H][C@]12SCC(CSc3nnnn3C)=C(N1C(=O)[C@]2(NC(=O)C1SC(S1)=C(C(N)=O)C([O-])=O)OC)C([O-])=O is the disodium salt of cefotetan. It has the role of antibacterial drug . It is also related to or classified as organic sodium salt .
The molecule CC(C)[C@@H]1CC=C(C)C(=O)C1 CC(C)[C@@H]1CC=C(C)C(=O)C1 is A dihydrocarvone compound having the exocyclic isopropenyl double bond reduced and (R)-configuration. It has the role of allergen . It is also related to or classified as dihydrocarvones .
The molecule OC[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@H]1O OC[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@H]1O is A quercetin O-glycoside in which an alpha-L-arabinofuranosyl residue is attached at position 3 of quercetin via a glycosidic linkage. It is isolated particularly from Juglans regia and Foeniculum vulgare. It has the role of hepatoprotective agent . It has the role of plant metabolite . It is also related to or classified as alpha-L-arabinofuranoside  . It is also related to or classified as tetrahydroxyflavone  . It is also related to or classified as monosaccharide derivative , quercetin O-glycoside .
The molecule O=C1N2C(C(=O)NC1C(C)C)CCC2 O=C1N2C(C(=O)NC1C(C)C)CCC2 is Cyclo(D-Val-L-Pro). Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C(=C(\\C=C(\\C(=O)[O-])/[O-])/C(=O)[O-])\\C(=O)O is a tricarboxylic acid trianion resulting from deprotonation of the three carboxy groups of (2Z,4E)-4-carboxy-2-hydroxyhexa-2,4-dienedioic acid. It is a conjugate base of a (2Z,4E)-4-carboxy-2-hydroxyhexa-2,4-dienedioic acid.
The molecule C1=CC2=C(C(=C1)O)C(=CN2)C/C(=N/OS(=O)(=O)O)/S[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O is an indolylmethylglucosinolic acid that is glucobrassicin bearing a hydroxy substituent at position 4 on the indole ring. It is an indolyl carbohydrate and an indolylmethylglucosinolic acid. It derives from a glucobrassicin. It is a conjugate acid of a 4-hydroxyglucobrassicin(1-).
The molecule CC(SC#N)C1CC(C)(C)OC1=O CC(SC#N)C1CC(C)(C)OC1=O is A butan-4-olide having a 1-thiocyanatoethyl group at the 3-position and two methyl substituents at the 5-position.  It is also related to or classified as thiocyanates  . It is also related to or classified as butan-4-olide .
The molecule [H][C@@]12[C@H](O)[C@H](C)C[C@H](O)[C@@]1([H])[C@](C)(C(=O)\C=C/O)C([C@H](C)CCCCCC)=C(O)C2=O [H][C@@]12[C@H](O)[C@H](C)C[C@H](O)[C@@]1([H])[C@](C)(C(=O)\C=C/O)C([C@H](C)CCCCCC)=C(O)C2=O is A carbobicyclic compound that is 4a,5,6,7,8,8a-hexahydronaphthalen-1(4H)-one substituted by hydroxy groups at positions 2, 5 and 8, a (2Z)-3-hydroxyprop-2-enoyl group at position 4, methyl groups at positions 4 and 7 and a 2R-octan-2-yl group at position 3 (the 4S,4aR,5S,7R,8R,8aS stereoisomer). It is isolated from the fermentation extracts of Sporormiella australis and exhibits antifungal activity by interfering with the fungal lipid metabolism. It has the role of metabolite . It has the role of antifungal agent . It has the role of EC 2.3.1.24 (sphingosine N-acyltransferase) inhibitor . It has the role of HIV-1 integrase inhibitor . 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 carbobicyclic compound .
The molecule C/C=C\\C(=O)O is a but-2-enoic acid having a cis- double bond at C-2. It is a conjugate acid of an isocrotonate.
The molecule O=C1N2C(C(=O)NC1CC3=CC=CC=C3)CCC2 O=C1N2C(C(=O)NC1CC3=CC=CC=C3)CCC2 is Cyclo(D-Phe-L-Pro). Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule O1C(C(O)C(O)C(O)C1OC=2C=C3OC=C(C4=CC=C(OC5OCC(O)(C5O)CO)C=C4)C(=O)C3=C(O)C2)CO O1C(C(O)C(O)C(O)C1OC=2C=C3OC=C(C4=CC=C(OC5OCC(O)(C5O)CO)C=C4)C(=O)C3=C(O)C2)CO is Genistein 7-O-glucoside-4'-O-apioside. It is also related to or classified as acrovestone  . It is also related to or classified as isoflavonoid .
The molecule C/C/1=C\\CC[C@@](/C=C/[C@](CCC2=C[C@@H](C1)OC2=O)(C(C)C)O)(C)OC is a cembrane diterpenoid that is cembra-2E,7E,11Z-trien-20,10-olide substituted by a hydroxy group at position 1 and a methoxy group at position 4. It has been isolated from the leaves of natural product found in Croton gratissimus. It has a role as a metabolite. It is a cembrane diterpenoid, a diterpene lactone, an ether, a macrocycle and a tertiary alcohol.
The molecule C1C=CN(C=C1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O is a pyridine nucleoside consisting of 1,4-dihydronicotinamide with a beta-D-ribofuranosyl moiety at the 1-position. It is a dihydropyridine and a pyridine nucleoside.
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)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCC([O-])=O CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCC([O-])=O is an acyl-CoA oxoanion that is the pentaanion of adipoyl-CoA, arising from deprotonation of the phosphate, diphosphate and carboxylic acid OH groups. It is also related to or classified as omega-carboxy-(fatty acyl)-CoA(5-)  . It is also related to or classified as omega-carboxyacyl-CoA(5-)  .
The molecule CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCCNC(=O)COCC(=O)NCCNC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC2CC(N(C(C2)(C)C)[O])(C)C)OC(=O)CCCCCCCCCCCCCCC is an aminoxyl (nitroxide) free radical dipalmitoyl glycerophosphoethanolamine derivative used as a hapten in immunological investigations. It is a member of aminoxyls and a glycerophospholipid.
The molecule CC(OS(=O)(=O)c1ccc(cc1)[N+]([O-])=O)C1CC(C)(C)OC1=O CC(OS(=O)(=O)c1ccc(cc1)[N+]([O-])=O)C1CC(C)(C)OC1=O is A butan-4-olide having a [1-(4-nitrophenylsulfonyl)oxy]ethyl group at the 3-position and two methyl substituents at the 5-position. It is also related to or classified as butan-4-olide , C-nitro compound , arenesulfonate ester .
The molecule [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OCCN(CC)CC [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OCCN(CC)CC is A 17-oxo steroid that is dehydroepiandrosterone in which the hydroxy group at position 3beta is replaced by a 2-(diethylamino)ethoxy group. It is a cholesterol biosynthesis inhibitor and induces cataracts in rats. It has the role of nicotinic antagonist . It has the role of EC 1.3.1.72 (Delta(24)-sterol reductase) inhibitor . It has the role of sterol biosynthesis inhibitor . Its functional parent is dehydroepiandrosterone . It is also related to or classified as 17-oxo steroid  . It is also related to or classified as ether  . It is also related to or classified as tertiary amino compound .
The molecule CC1=C(O)C(=O)c2c(O)c(O)c(C)c(O)c2C1=O CC1=C(O)C(=O)c2c(O)c(O)c(C)c(O)c2C1=O is A naphthoquinone that is 1,4-naphthoquinone substituted by hydroxy groups at positions 2, 5, 7,and 8 and methyl groups at positions 3 and 6. It is isolated from surface cultures of Aureobasidium and acts as a protease inhibitor. It has the role of metabolite . It has the role of antibacterial agent . It has the role of protease inhibitor .  It is also related to or classified as phenols  . It is also related to or classified as hydroxy-1,4-naphthoquinone .
The molecule [C@H]1([C@@H]([C@@H]([C@H]([C@@H]([C@H]1OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])O)O is octaanion of 1D-myo-inositol 3,4,5,6-tetrakisphosphate arising from global deprotonation of the acidic phosphate OH groups. It has a role as a human metabolite. It is a conjugate base of a 1D-myo-inositol 3,4,5,6-tetrakisphosphate.
The molecule O=C1OC(=CC2=C1/C(=C/C3=CC(O)=C(O)C=C3)/[C@](OC)(C)O2)/C=C/C4=CC(OC)=C(O)C=C4 O=C1OC(=CC2=C1/C(=C/C3=CC(O)=C(O)C=C3)/[C@](OC)(C)O2)/C=C/C4=CC(OC)=C(O)C=C4 is Methylinoscavin B. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule CC(Oc1ccc(Cl)cc1)C(O)=O CC(Oc1ccc(Cl)cc1)C(O)=O is CPP. It has the role of phenoxy herbicide . It is also related to or classified as monocarboxylic acid .
The molecule CCCCCCCCN1C(=O)C=CS1 is a member of the class of 1,2-thiazole that is 1,2-thiazol-3-one substituted on the nitrogen (position 2) by an octyl group. A fungicide and antibacterial agent, it is used for treatment of canker and other fungal and bacterial diseases in fruit trees. It is no longer approved for use within the European Union. It has a role as an environmental contaminant, a xenobiotic, an antifungal agrochemical and an antibacterial agent.
The molecule CC(OS(=O)(=O)c1ccc(Cl)cc1)C1CC(C)(C)OC1=O CC(OS(=O)(=O)c1ccc(Cl)cc1)C1CC(C)(C)OC1=O is A butan-4-olide having a [1-(4-chlorophenylsulfonyl)oxy]ethyl group at the 3-position and two methyl substituents at the 5-position. It is also related to or classified as butan-4-olide , arenesulfonate ester , monochlorobenzenes .
The molecule [H][C@]1(OC[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1CC[C@]23C[C@]22CC[C@]4(C)[C@]([H])([C@@H](O)C[C@@]4(C)[C@]2([H])C[C@H](O[C@]2([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@]3([H])C1(C)C)[C@@]1(C)CC[C@H](O1)C(C)(C)O [H][C@]1(OC[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1CC[C@]23C[C@]22CC[C@]4(C)[C@]([H])([C@@H](O)C[C@@]4(C)[C@]2([H])C[C@H](O[C@]2([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@]3([H])C1(C)C)[C@@]1(C)CC[C@H](O1)C(C)(C)O is A pentacyclic triterpenoid that is cycloastragenol having  beta-D-xylopyranosyl and beta-D-glucopyranosyl residues attached at positions O-3 and O-6 respectively. It is isolated from Astragalus membranaceus var mongholicus. It has the role of antioxidant . It has the role of EC 4.2.1.1 (carbonic anhydrase) inhibitor . It has the role of neuroprotective agent . It has the role of anti-inflammatory agent . It has the role of pro-angiogenic agent . It has the role of plant metabolite . Its functional parent is cycloastragenol . It is also related to or classified as pentacyclic triterpenoid , triterpenoid saponin .
The molecule O=C(O[C@H]1[C@]2(O[C@@]([C@@H]1O)(O[C@@H]([C@@]2(O)C(=O)O)C(=O)O)CCC(=C)C(O)C(CO)CC3=CC=CC=C3)C(=O)O)/C=C/[C@H](C[C@H](CC)C)C O=C(O[C@H]1[C@]2(O[C@@]([C@@H]1O)(O[C@@H]([C@@]2(O)C(=O)O)C(=O)O)CCC(=C)C(O)C(CO)CC3=CC=CC=C3)C(=O)O)/C=C/[C@H](C[C@H](CC)C)C is Squalestatin S3. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule C1[C@H](C2=C(C=C(C=C2O)O)[C@@H]3[C@H](OC4=CC(=CC1=C34)O)C5=CC=C(C=C5)O)C6=CC=C(C=C6)O is a heterotetracyclic stilbenoid that is a homodimer obtained by cyclodimerisation of resveratrol. It has a role as a plant metabolite and a lipoxygenase inhibitor. It is a polyphenol, a stilbenoid and an organic heterotetracyclic compound. It derives from a resveratrol.
The molecule CC1=CC(=O)C(=CN1)C(=O)N[C@H](C2=CC=C(C=C2)O)C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)O is a third-generation cephalosporin antibiotic with [(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl and (R)-2-{[(4-hydroxy-6-methylpyridin-3-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetamido groups at positions 3 and 7, respectively, of the cephem skeleton. It has a broad spectrum of antibacterial activity. It has a role as an antibacterial drug. It is a cephalosporin and a carboxylic acid. It is a conjugate acid of a cefpiramide(1-).
The molecule [H][C@]12CC[C@]3(C)C(O)CC[C@@]3([H])[C@]1([H])CCc1cc(O)ccc21 [H][C@]12CC[C@]3(C)C(O)CC[C@@]3([H])[C@]1([H])CCc1cc(O)ccc21 is A 3-hydroxy steroid that is estra-1,3,5(10)-triene substituted by hydroxy groups at positions 3 and 17. It has the role of estrogen . It has the role of human metabolite . It is also related to or classified as phenolic steroid  . It is also related to or classified as 17-hydroxy steroid , 3-hydroxy steroid .
The molecule CC(=CCC/C(=C/CC1=C(C=CC(=C1O)OC)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)/C)C is a tetrahydroxyflavone that is flavonol substituted by additional hydroxy groups at positions 5, 7 and 3', a methoxy group at position 4' and a geranyl group at position 2'. It has been isolated from the twigs of Morus nigra. It has a role as a plant metabolite. It is a tetrahydroxyflavone, a member of flavonols and a monomethoxyflavone. It derives from a flavonol.
The molecule [H][C@@]12CCC(C)=C3C(=O)C=C(C)[C@]3([H])[C@@]1([H])OC(=O)[C@@H]2C [H][C@@]12CCC(C)=C3C(=O)C=C(C)[C@]3([H])[C@@]1([H])OC(=O)[C@@H]2C is A sesquiterpene lactone that is (3R,3aS,9aS,9bS)-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione carrying three additional methyl substituents at positions 3, 6 and 9. It has the role of nitric oxide synthase activator . It has the role of plant metabolite . It is also related to or classified as sesquiterpene lactone , azulenofuran .
The molecule CC1(C)CC(CCOS(=O)(=O)c2ccccc2)C(=O)O1 CC1(C)CC(CCOS(=O)(=O)c2ccccc2)C(=O)O1 is A butan-4-olide having a 2-(phenylsulfonyloxy)ethyl group at the 3-position and two methyl substituents at the 5-position.  It is also related to or classified as benzenesulfonate ester  . It is also related to or classified as butan-4-olide .
The molecule [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(COC(=O)\C=C\c3ccc(O)cc3)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](OC(=O)\C=C/c4ccc(O)cc4)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(COC(=O)\C=C\c3ccc(O)cc3)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](OC(=O)\C=C/c4ccc(O)cc4)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O is A pentacyclic triterpenoid that is the diester obtained by the global condensation of the hydroxy groups of (3beta)-3,27-dihydroxyolean-12-en-28-oic acid with trans-4-coumaric acid and cis-4-coumaric acid respectively. It is isolated from the dried leaves of Ilex asprella and exhibits significant toxicity against KB (epidermoid carcinoma of the nasopharynx) and RPMI-7951 (melanoma) cell lines. It has the role of metabolite . It has the role of antineoplastic agent . Its functional parent is cis-4-coumaric acid . Its functional parent is trans-4-coumaric acid . Its functional parent is (3beta)-3,27-dihydroxyolean-12-en-28-oic acid .   It is also related to or classified as diester  . It is also related to or classified as monocarboxylic acid , pentacyclic triterpenoid .
The molecule C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCN3CCOCC3)O[C@H]1CN(C)CC4=CC(=C(C=C4)Cl)Cl)[C@H](C)CO C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCN3CCOCC3)O[C@H]1CN(C)CC4=CC(=C(C=C4)Cl)Cl)[C@H](C)CO is N-[(2R,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide. Its functional parent is beta-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CN1CCN(CC1)C(=O)OC2C3=NC=CN=C3C(=O)N2C4=NC=C(C=C4)Cl is a pyrrolo[3,4-b]pyrazine compound having a 4-methylpiperazine-1-carboxyl group at the 5-position, a 5-chloropyridin-2-yl group at the 6-position and an oxo-substituent at the 7-position. It has a role as a central nervous system depressant and a sedative. It is a pyrrolopyrazine and a monochloropyridine.
The molecule O=C1NC2=C(C(=O)C[C@H]3[C@]1([C@@]4([C@](O)(C5=CC(=O)[C@@H]6O[C@]5(OC6(C)C)CC4)CC3)C)C)C=C(CC=C(C)C)C(=C2)CC=C(C)C O=C1NC2=C(C(=O)C[C@H]3[C@]1([C@@]4([C@](O)(C5=CC(=O)[C@@H]6O[C@]5(OC6(C)C)CC4)CC3)C)C)C=C(CC=C(C)C)C(=C2)CC=C(C)C is Shearinine J. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule O[Fe]=O.O[Fe]=O.[Zn] is a mixed metal oxide with formula Fe2O4Zn. It is a mixed metal oxide, a zinc coordination entity and an iron coordination entity. It contains an iron(3+).
The molecule CC(=CCC1=CC(=CC2=C1OC(C=C2)(C)C)[C@@H]3CC(=O)C4=C(C=C(C(=C4O3)CC=C(C)C)O)O)C is a dihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5 and 7, prenyl groups at positions 8 and 3' and a 6,6-dimethyl-3,6-dihydro-2H-pyran ring fused across positions 4' and 5'. Isolated from the stem barks of Maackia amurensis, it exhibits cytotoxicity against human cancer cell lines. It has a role as a metabolite and an antineoplastic agent.
The molecule C/C(=C/C=C(\\C(=O)O)/[O-])/C(=O)CC[C@H]1[C@@H]2CCC(=O)[C@]2(CCC1=O)C is a hydroxy monocarboxylic acid anion that is the conjugate base of 3-hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1(10),2-dien-4-oic acid. It is a 6-oxo monocarboxylic acid anion and a hydroxy monocarboxylic acid anion. It is a conjugate base of a 3-hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1(10),2-dien-4-oic acid.
The molecule COc1ccc(cc1)S(=O)(=O)OCCC1CC(C)(C)OC1=O COc1ccc(cc1)S(=O)(=O)OCCC1CC(C)(C)OC1=O is A butan-4-olide having a 2-[(4-methoxyphenylsulfonyl)oxy]ethyl group at the 3-position and two methyl substituents at the 5-position. It is also related to or classified as butan-4-olide , arenesulfonate ester .
The molecule C1CCC(=CC1)C2=CC=C(C=C2)[C@H]3[C@@H](N([C@@H]3C#N)C(=O)CN4CCOCC4)CO C1CCC(=CC1)C2=CC=C(C=C2)[C@H]3[C@@H](N([C@@H]3C#N)C(=O)CN4CCOCC4)CO is (2S,3R,4R)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-1-[2-(4-morpholinyl)-1-oxoethyl]-2-azetidinecarbonitrile. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(CO)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(CO)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O is A pentacyclic triterpenoid that is olean-12-ene substituted by hydroxy groups at 3beta and 27-positions and a carboxy group at position 28. It is also related to or classified as diol  . It is also related to or classified as monocarboxylic acid , pentacyclic triterpenoid .
The molecule CC(C)CC(C1(CCC1)C2=CC=C(C=C2)Cl)N(C)C is an organochlorine compound and a tertiary amino compound. It has a role as an anti-obesity agent and a serotonin uptake inhibitor.
The molecule S(=O)=C(N)/C=C/CCCCCCCCCCC(C)C S(=O)=C(N)/C=C/CCCCCCCCCCC(C)C is Sulfinemycin. It is also related to or classified as sulfoxide  . It is also related to or classified as thiocarbonyl compound .
The molecule O1C(OC2=C(O)C=3OC(=O)C=CC3C=C2)C(O)C(O)C(O)C1C(O)=O O1C(OC2=C(O)C=3OC(=O)C=CC3C=C2)C(O)C(O)C(O)C1C(O)=O is 3,4,5-trihydroxy-6-[(8-hydroxy-2-oxo-2H-chromen-7-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 C1=CC=C(C=C1)[C@@H]2[C@H](N([C@@H]2CO)CC3=CN=CC=C3)CNC(=O)C4=CC=CC=N4 C1=CC=C(C=C1)[C@@H]2[C@H](N([C@@H]2CO)CC3=CN=CC=C3)CNC(=O)C4=CC=CC=N4 is N-[[(2S,3R,4S)-4-(hydroxymethyl)-3-phenyl-1-(3-pyridinylmethyl)-2-azetidinyl]methyl]-2-pyridinecarboxamide. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule CCCCCCC[C@@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O)O is a 3-hydroxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-hydroxydecanoic acid. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It derives from a decanoic acid and a (S)-3-hydroxydecanoic acid. It is a conjugate acid of a (S)-3-hydroxydecanoyl-CoA(4-).
The molecule C[C@@H](C(=O)OC[C@@H](O)[C@H](O)[C@H](O)CO)c1c[nH]c2ccccc12 C[C@@H](C(=O)OC[C@@H](O)[C@H](O)[C@H](O)CO)c1c[nH]c2ccccc12 is an indolyl carboxylate ester obtained by formal condensation of one of the primary hydroxy groups of D-arabinitol with the carboxy group of (2R)-2-(indol-3-yl)propanoic acid. It has the role of plant growth regulator . It has the role of plant metabolite . It has the role of fungal metabolite . Its functional parent is D-arabinitol . It is also related to or classified as indolyl carboxylate ester , pentitol derivative .