anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CC(C)[C@@]1([C@@H]([C@H]2[C@@]3(O2)[C@]4(CCC5=C([C@@H]4C[C@H]6[C@]3([C@@H]1O)O6)COC5=O)C)O)O is an abietane diterpenoid with formula C20H26O7, originally isolated from Tripterygium wilfordii. It has a role as a plant metabolite and an anti-inflammatory agent. It is a gamma-lactone, a triol, an epoxide and an abietane diterpenoid.
The molecule C1CC1C(=O)N2CC3(C2)[C@@H]([C@H](N3CC4=NC=CS4)CO)C5=CC=CC=C5 C1CC1C(=O)N2CC3(C2)[C@@H]([C@H](N3CC4=NC=CS4)CO)C5=CC=CC=C5 is cyclopropyl-[(2S,3R)-2-(hydroxymethyl)-3-phenyl-1-(2-thiazolylmethyl)-1,6-diazaspiro[3.3]heptan-6-yl]methanone. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule [Cl-].Oc1cc(O)c2ccc([o+]c2c1)-c1ccc(O)c(O)c1 [Cl-].Oc1cc(O)c2ccc([o+]c2c1)-c1ccc(O)c(O)c1 is an anthocyanidin chloride that has luteolinidin as the cationic counterpart. It is also related to or classified as anthocyanidin chloride  .
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)/C)/C)/C)/C)/C)/C)/C)/C)/C)C is an undecaprenyl diphosphate in which the eight double bonds closest to the phosphate group have Z configuration, while the next two double bonds have E configuration. It has a role as an Escherichia coli metabolite. It is a conjugate acid of a ditrans,polycis-undecaprenyl diphosphate(3-).
The molecule C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@@H](C(O2)O)O)O)O)O)O)O)O[C@H]3[C@@H]([C@H]([C@@H](O3)[C@@H](CO)O)O)O is a trisaccharide consisting of D-mannose at the reducing end having a beta-D-galactofuranosyl-(1->6)-alpha-D-mannosyl moiety attached at the 6-position. It has a role as a carbohydrate allergen.
The molecule CC(=S)N is a thiocarboxamide consiting of acetamide having the oxygen replaced by sulfur. It has a role as a hepatotoxic agent. It derives from an acetamide.
The molecule [O-]C(CCCC(/C=C/C=C\CCCCCCCCCO)=O)=O [O-]C(CCCC(/C=C/C=C\CCCCCCCCCO)=O)=O is 5-oxo-18-HODE(1-).   It is also related to or classified as omega-hydroxy fatty acid anion  . It is also related to or classified as octadecanoid anion , oxo fatty acid anion .
The molecule C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CNC C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CNC is N-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCN(CCCN(C)C)C1=[N+](C2=CC=CC=C2C(=C1)/C=C\\3/N(C4=CC=CC=C4S3)C)C5=CC=CC=C5 is a benzothiazolium ion resulting from the methylation of the nitrogen of the benzothiazole group of N-[4-(1,3-benzothiazol-2-ylmethylene)-1-phenyl-1,4-dihydroquinolin-2-yl]-N',N'-dimethyl-N-propylpropane-1,3-diamine. A cationic unsymmetrical cyanine dye that binds to double-stranded DNA and is used as a nucleic acid stain in molecular biology. It has a role as a fluorescent dye. It is a cyanine dye, a tertiary amine, a member of quinolines and a benzothiazolium ion.
The molecule CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCC/C=C\\CCCCCCCC)O is a dihydroceramide in which the ceramide N-acyl group is specified as (15Z)-tetracosenoyl (nervonoyl). It has a role as a mouse metabolite. It is a C24:1-sphinganine and a Cer(d42:1). It derives from a (15Z)-tetracosenoic acid.
The molecule [H][C@@]12CCC3=C(CC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)CCC(=C)C(C)C)[C@@]1(C)CC[C@@H](C2)OC(=O)CCCCCCC\C=C/CCCCCC [H][C@@]12CCC3=C(CC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)CCC(=C)C(C)C)[C@@]1(C)CC[C@@H](C2)OC(=O)CCCCCCC\C=C/CCCCCC is fecosteryl palmitoleate. It has the role of Saccharomyces cerevisiae metabolite . It is also related to or classified as fecosterol ester  .
The molecule O=c1c2ccccc2oc2ccccc12 O=c1c2ccccc2oc2ccccc12 is the parent compound of the xanthone class consisting of xanthene bearing a single oxo substituent at position 9. It has the role of insecticide . It is also related to or classified as xanthones .
The molecule CC[C@H](C)[C@@H](C(=O)[O-])NC(=O)[C@H](CNC(=O)/C=C/C(=O)N)[NH3+] is a peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of dapdiamide B; major species at pH 7.3. It has a role as a bacterial metabolite. It is a tautomer of a dapdiamide B.
The molecule C(C(=O)O)(Br)Br is a monocarboxylic acid that is acetic acid in which two of the methyl hydrogens are replaced by bromo groups. It has a role as a marine metabolite and an apoptosis inducer. It is a monocarboxylic acid and a 2-bromocarboxylic acid. It derives from an acetic acid.
The molecule [O-]C(CCC[C@@H](/C=C/C=C\CCCCCCCCCO)O)=O [O-]C(CCC[C@@H](/C=C/C=C\CCCCCCCCCO)O)=O is (5S,18)-diHODE(1-).  It is also related to or classified as (omega-1)-hydroxy fatty acid anion  . It is also related to or classified as octadecanoid anion .
The molecule C1[C@@]2([C@@]([C@@]3([C@](C[C@H](OS(O)(=O)=O)CC3)(C1)[H])C)(CC[C@@]4([C@H](CC[C@@]24[H])O)C)[H])[H] C1[C@@]2([C@@]([C@@]3([C@](C[C@H](OS(O)(=O)=O)CC3)(C1)[H])C)(CC[C@@]4([C@H](CC[C@@]24[H])O)C)[H])[H] is an androstane sulfate that is 5alpha-androstan-3alpha,17beta-diol in which the hydroxy hydrogen at position 3 has been replaced by a sulfo group. It is a conjugate acid of (3alpha,5alpha,17beta)-17-hydroxyandrostan-3-yl sulfate(1-) .   It is also related to or classified as 17beta-hydroxy steroid  . It is also related to or classified as androstane sulfate , 5alpha-androstane-3beta,17beta-diol monosulfate(1-) .
The molecule C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3CCCCC3)[C@@H](C)CO)C)CNC C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3CCCCC3)[C@@H](C)CO)C)CNC is 1-cyclohexyl-3-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC=CC1=CC=C(C=C1)[C@H]2[C@@H](N([C@@H]2CO)C(=O)C3CC3)CN(C)C(=O)CC4CC4 CC=CC1=CC=C(C=C1)[C@H]2[C@@H](N([C@@H]2CO)C(=O)C3CC3)CN(C)C(=O)CC4CC4 is LSM-40523. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule [C@@]12([C@@]3([C@@]([C@]4([C@](C(OC(C=C4)=O)(C)C)([H])CC3)C)([H])C[C@](C1=C)(C(=O)[C@@](C2=O)(O)C)C)C)C(=O)OC [C@@]12([C@@]3([C@@]([C@]4([C@](C(OC(C=C4)=O)(C)C)([H])CC3)C)([H])C[C@](C1=C)(C(=O)[C@@](C2=O)(O)C)C)C)C(=O)OC is preaustinoid A2. It is also related to or classified as tertiary alpha-hydroxy ketone  .     It is also related to or classified as tertiary alcohol  . It is also related to or classified as carboxylic ester  . It is also related to or classified as cyclic terpene ketone , terpene lactone , organic heterotetracyclic compound , meroterpenoid .
The molecule CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1N4CCCCC4)C)CC[C@]5([C@H]3C[C@@H]([C@@H]5OC(=O)C)[N+]6(CCCCC6)C)C.[Br-] is the organic bromide salt of a 5alpha-androstane compound having 3alpha-acetoxy-, 17beta-acetoxy-, 2beta-piperidinino- and 16beta-N-methylpiperidinium substituents. It has a role as a nicotinic antagonist, a neuromuscular agent and a muscle relaxant. It is a quaternary ammonium salt and an organic bromide salt. It contains a vecuronium. It derives from a 5alpha-androstane.
The molecule C([C@@H](C(=O)O)N)SN=O is an L-cysteine derivative in which the sulfur atom carries a nitroso substituent. A cell-permeable low-molecular-weight nitrosothiol and nitric oxide donor. It has a role as a vasodilator agent, a platelet aggregation inhibitor and a hematologic agent. It is a L-cysteine derivative and a nitrosothio compound.
The molecule CCC(=O)C1=CC=CC=C1 is an aromatic ketone in which the two substituents on the carbonyl C atom are phenyl and ethyl. It has a role as a fragrance.
The molecule CC1=C(NC(=C1CCC(=O)O)CC2=C(C(=C(N2)/C=C/3\\NC(=O)C(=C3C=C)C)C)CCC(=O)O)/C=C/4\\NC(=O)C(=C4C=C)C is a biladiene that is a linear tetrapyrrole and a regioisomer of bilirubin IXalpha, in which the dipyrroles are of endovinyl type only. It is a member of biladienes and a dicarboxylic acid.
The molecule [O-]C(CCC[C@@H](/C=C/C=C\CCCCCCCCC)O)=O [O-]C(CCC[C@@H](/C=C/C=C\CCCCCCCCC)O)=O is (5S)-HODE(1-). It is also related to or classified as octadecanoid anion , hydroxy fatty acid anion .
The molecule [C@H]1([C@H](C([C@H]([C@@H](C1O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O is a myo-inositol bis(diphosphate) trisphosphate having the three phospho groups located at positions 4, 5 and 6 and the two diphospho groups at positions 1 and 3. It derives from a myo-inositol.
The molecule CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(O)=O CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(O)=O is A dipeptide formed from two L-leucine residues. It has the role of Mycoplasma genitalium metabolite . It has the role of human metabolite . Its functional parent is L-leucine . It is also related to or classified as dipeptide  .
The molecule C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(=O)C4)C)C is a 3-oxo Delta(5)-steroid that is cholesterol in which the alcoholic hydroxy group has been oxidised to the corresponding ketone. It has a role as a metabolite. It is a 3-oxo-Delta(5)-steroid and a cholestanoid.
The molecule CC(C)C1=C[C@]23CC[C@@H]4[C@@](C2=CC1=O)(CCCC4(C)C)C(=O)O3 is an abietane diterpenoid isolated from the stem bark of Fraxinus sieboldiana. It has a role as a plant metabolite. It is a diterpene lactone, an abietane diterpenoid and a cyclic terpene ketone.
The molecule [H]C(NC(C(=O)[O-])CCC(=O)[O-])=[NH+]C [H]C(NC(C(=O)[O-])CCC(=O)[O-])=[NH+]C is N-(N-methyl)formimidoyl-L-glutamate(1-). It is also related to or classified as alpha-amino-acid anion , dicarboxylic acid anion .
The molecule CS(=O)(=O)NC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-] is an N-sulfonylcarboxamide that is N-(methylsulfonyl)benzamide in which the phenyl ring is substituted by a nitro group at position 2 and a 2-chloro-4-(trifluoromethyl)phenoxy group at position 5. A protoporphyrinogen oxidase inhibitor, it was specially developed for use (generally as the corresponding sodium salt, fomesafen-sodium) for post-emergence control of broad-leaf weeds in soya. It has a role as a herbicide, an agrochemical and an EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor. It is an aromatic ether, a N-sulfonylcarboxamide, a C-nitro compound, an organofluorine compound, a member of monochlorobenzenes and a member of phenols. It is a conjugate acid of a fomesafen(1-).
The molecule CC(CC1=CC2=CC(=O)C(C(=O)C2=CO1)(C)OC(=O)C)O is an azaphilone that is 6H-2-benzopyran-6,8(7H)-dione carrying a 2-hydroxypropyl sunstyituent at position 3 as well as methyl and acetoxy substituents at position 7. It has a role as an Aspergillus metabolite. It is an azaphilone, a beta-diketone, a 2-benzopyran, a cyclic ketone, a polyketide, a secondary alcohol and an acetate ester.
The molecule CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H](N)COP(O)(O)=O CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H](N)COP(O)(O)=O is A phosphosphingolipid that is phytosphingosine bearing a phospho group at position 1. It has the role of Saccharomyces cerevisiae metabolite . Its functional parent is phytosphingosine . It is a conjugate acid of phytosphingosine 1-phosphate(1-) . It is also related to or classified as sphingoid 1-phosphate  .
The molecule CCCCCCCCCCCCCCC\C=C/CCCCCC CCCCCCCCCCCCCCC\C=C/CCCCCC is A 7-tricosene in which the double bond at position 7 has cis-configuration. It has the role of pheromone . It has the role of animal metabolite . It is also related to or classified as 7-tricosene  .
The molecule C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3CC3)C(=O)N(C[C@H]1OC)C)C)CC4=CC(=CC=C4)F C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3CC3)C(=O)N(C[C@H]1OC)C)C)CC4=CC(=CC=C4)F is N-[(5S,6R,9S)-8-[(3-fluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCC(=O)N1C[C@H]2[C@@H]([C@H](N2C(=O)C1)CO)C3=CC=C(C=C3)C#CCC(C)C CCC(=O)N1C[C@H]2[C@@H]([C@H](N2C(=O)C1)CO)C3=CC=C(C=C3)C#CCC(C)C is (6R,7S,8S)-8-(hydroxymethyl)-7-[4-(4-methylpent-1-ynyl)phenyl]-4-(1-oxopropyl)-1,4-diazabicyclo[4.2.0]octan-2-one. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](O[C@@H]([C@H]2O)CO)OP(=O)([O-])OP(=O)([O-])OC/C=C(/C)\\CC/C=C(/C)\\CC/C=C(/C)\\CC/C=C(/C)\\CC/C=C(/C)\\CC/C=C(/C)\\CC/C=C(/C)\\CC/C=C(/C)\\CC/C=C(\\C)/CCC=C(C)C)NC(=O)C)O)O)O[C@H]3[C@@H]([C@H]([C@@H](O3)[C@@H](CO)O)O)O is an organophosphate oxoanion obtained by deprotonation of the diphosphate OH groups of beta-D-Galf-(1->4)-alpha-L-Rhap-(1->3)-alpha-D-GlcpNAc-1-diphospho-trans,octacis-decaprenol; major species at pH 7.3. It is a conjugate base of a beta-D-Galf-(1->4)-alpha-L-Rhap-(1->3)-alpha-D-GlcpNAc-1-diphospho-trans,octacis-decaprenol.
The molecule CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O is a galactosylceramide sulfate in which the sulfo group is located at position 3 and the ceramide N-acyl group is specified as docosanoyl. It is a N-acyl-beta-D-galactosylsphingosine and a galactosylceramide sulfate. It is a conjugate acid of a 1-(3-O-sulfo-beta-D-galactosyl)-N-docosanoylsphingosine(1-).
The molecule C1=CC=C(C=C1)CC(=O)C(=O)O is a 2-oxo monocarboxylic acid that is 3-phenylpropanoic acid substituted by an oxo group at position 2. It is an intermediate metabolite in the phenylalanine pathway. It has a role as a fundamental metabolite, a chromogenic compound and an EC 6.4.1.1 (pyruvate carboxylase) inhibitor. It derives from a pyruvic acid. It is a conjugate acid of a keto-phenylpyruvate. It is a tautomer of an enol-phenylpyruvic acid.
The molecule C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)CC4=CC=NC=C4 C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)CC4=CC=NC=C4 is N-[(3S,9R,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]-2-phenylacetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@H]1C[C@]2([C@H]([C@H]1OC(=O)C)[C@@H]3[C@](O3)(CC[C@H]4[C@H](C4(C)C)/C=C(/C2=O)\\C)C)OC(=O)C5=CC=CC=C5 is a lathyrane diterpenoid isolated from the roots of Euphorbia micractina. It has a role as a vasodilator agent. It is a benzoate ester, an epoxide, a lathyrane diterpenoid and an acetate ester.
The molecule CCC/C=C\\C=O is a 2-hexenal in which the olefinic double bond has Z configuration. It has a role as a plant metabolite.
The molecule CCCCCCC\C=C\CCCCCCCCC(O)=O CCCCCCC\C=C\CCCCCCCCC(O)=O is an octadecenoic acid with a trans-double bond at position C-10. It has the role of plant metabolite . It is a conjugate acid of (10E)-octadecenoate . It is also related to or classified as octadecenoic acid .
The molecule O[C@@H]1CC(=C[C@@H](O)[C@H]1O)C([O-])=O O[C@@H]1CC(=C[C@@H](O)[C@H]1O)C([O-])=O is A cyclohexenecarboxylate that is the conjugate base of shikimic acid. It has the role of Saccharomyces cerevisiae metabolite . It has the role of plant metabolite . It has the role of Escherichia coli metabolite . It is also related to or classified as hydroxy monocarboxylic acid anion , cyclohexenecarboxylate .
The molecule C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC([C@@H](CO)O)[C@H](CO)O)O)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)O)O is a glycoside formed by successive (1->3) linkage of galactose, glucose, rhamnose and ribitol moieties. It has a role as a hapten. It is a glycoside and a tetrasaccharide. It derives from a ribitol.
The molecule CSCC[C@@H](C(=O)[O-])NC(=O)[O-] is an N-acyl-L-alpha-amino acid anion derived from N-carboxy-L-methionine(2-) by removal of a proton from each of the carboxy groups. Major species at pH 7.3. It is a dicarboxylic acid dianion and a N-acyl-L-alpha-amino acid anion. It is a conjugate base of a N-carboxy-L-methionine.
The molecule C1(=CC(=C(C2=C1C(=CC(O2)=O)OC)C3=C(C=C(C4=C3OC(C=C4OC)=O)C)[O-])O)C C1(=CC(=C(C2=C1C(=CC(O2)=O)OC)C3=C(C=C(C4=C3OC(C=C4OC)=O)C)[O-])O)C is A phenolate anion resulting from the deprotonation of the 7-hydroxy group orlandin. It is the major microspecies at pH 7.3. It is also related to or classified as phenolate anion .
The molecule COC1=CC=CC(=C1)C/C(=N/OS(=O)(=O)[O-])/S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O is an aralkylglucosinolate that is glucotropeolin in which the phenyl group is substituted at position 3 by a methoxy group. It derives from a glucotropeolin. It is a conjugate base of a glucolimnanthin.
The molecule CCCCCCC(O)CCCCCCCCC(O)=O CCCCCCC(O)CCCCCCCCC(O)=O is A hydroxypalmitic acid that is palmitic (hexadecanoic) acid carrying a single hydroxy substituent at position 10. It has the role of Escherichia coli metabolite . It has the role of human metabolite . It is a conjugate acid of 10-hydroxypalmitate . It is also related to or classified as hydroxypalmitic acid .
The molecule C1(=CC(=CC2=C1C(=CC(O2)=O)O)O)C C1(=CC(=CC2=C1C(=CC(O2)=O)O)O)C is A hydroxycoumarin that is 2H-chromen-2-one substituted by a hydroxy group at positions 4 and 7, and a methyl group at position 5. It has the role of plant metabolite . It has the role of Aspergillus metabolite . It is a conjugate acid of 4,7-dihydroxy-5-methylcoumarin(1-) . It is also related to or classified as hydroxycoumarin .
The molecule C[C@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@@H]1CN(C)CC3=CC4=C(C=C3)OCCO4)[C@@H](C)CO C[C@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@@H]1CN(C)CC3=CC4=C(C=C3)OCCO4)[C@@H](C)CO is (8S,9S)-9-[[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]methyl]-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)c1c(C)onc1-c1ccccc1Cl)C(O)=O [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)c1c(C)onc1-c1ccccc1Cl)C(O)=O is A semisynthetic penicillin antibiotic carrying a 3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido group at position 6. It has the role of antibacterial agent . It has the role of antibacterial drug . Its functional parent is oxacillin . It is a conjugate acid of cloxacillin(1-) .   It is also related to or classified as penicillin  . It is also related to or classified as semisynthetic derivative , penicillin allergen .
The molecule C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C4=NC=NC(=C4N=C3NCCCCCCN)N)O)OP(=O)(O1)O is a 3',5'-cyclic purine nucleotide that is 3',5'-cyclic AMP in which the hydrogen at position 2 on the purine fragment is replaced by a 6-aminohexylamino group. It is a 3',5'-cyclic purine nucleotide, an adenyl ribonucleotide, a primary amino compound and a secondary amino compound. It derives from a 3',5'-cyclic AMP.
The molecule C/C(=C\\CC[C@]1([C@@H](O1)C(=O)OC)C)/CC[C@@H]2C(O2)(C)C is a juvenile hormone that is methyl farnesoate in which the 2,3 and 10,11-double bonds have been epoxidised. Found in the stink bug, Plautia stali. It has a role as an animal metabolite. It is a juvenile hormone, a fatty acid methyl ester and an epoxide. It derives from a methyl farnesoate.
The molecule C1=CC=C(C=C1)COC(=O)/C=C/C2=CC=CC=C2 is the cinnamate ester derived from cinnamic acid and benzyl alcohol. Occuring in Balsam of Peru and Tolu balsam, in Sumatra and Penang benzoin, and as the main constituent of copaiba balsam, it is used in heavy oriental perfumes, as a fixative and as a flavouring agent. It has a role as a flavouring agent, a fragrance, a fixative, an antigen and an epitope.
The molecule CN1C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)OC1=O is a 3,1-benzoxazin-1,4-dione having an N-methyl substituent and a nitro group at the 7-position. It is a benzoxazine and a C-nitro compound.
The molecule [O-]C(CCCC(/C=C/C=C\CCCCCCCCC)=O)=O [O-]C(CCCC(/C=C/C=C\CCCCCCCCC)=O)=O is 5-oxo-ODE(1-). It is also related to or classified as octadecanoid anion , oxo fatty acid anion .
The molecule C[C@H](CCCC(C)C)[C@H]1CCC2=C3CCC4[C@@]([C@H]3CC[C@]12C)(CC[C@@H](C4(C)C)O)C is a 3beta-hydroxy-4,4-dimethylsteroid that is that is cholestan-3beta-ol in which the hydrogens at position 4 have been replaced by methyl groups and a double bond has been introduced between positions 8 and 14.
The molecule COC1=C(C(=C2C(=C1)C=CC(=O)O2)O)O is a hydroxycoumarin that is 6-methoxycoumarin in which the hydrogens at positions 7 and 8 have been replaced by hydroxy groups. It has a role as an Arabidopsis thaliana metabolite, an antimicrobial agent, an apoptosis inhibitor, an apoptosis inducer, an antioxidant, an anti-inflammatory agent, a hepatoprotective agent, an antibacterial agent and a hypoglycemic agent. It is a hydroxycoumarin and an aromatic ether.
The molecule C1[C@@H]2[C@@H]([C@H](N2C(=O)CN1C(=O)C3=CC=CC=C3F)CO)C4=CC=C(C=C4)C#CC5=CC=CC=C5 C1[C@@H]2[C@@H]([C@H](N2C(=O)CN1C(=O)C3=CC=CC=C3F)CO)C4=CC=C(C=C4)C#CC5=CC=CC=C5 is (6S,7S,8S)-4-[(2-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-7-[4-(2-phenylethynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)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)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)CC3CC3 is 1-[(3R,9S,10R)-9-[[cyclopropylmethyl(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]-3-propan-2-ylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)CO)O)O)O)O is an alpha-D-Glcp-(1->3)-[alpha-D-Glcp-(1->4)]-D-Glcp in which the carbon bearing the anomeric hydroxy group has alpha- configuration. It derives from an alpha-maltose.
The molecule N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O is A dipeptide formed from two L-phenylalanine residues. It has the role of Mycoplasma genitalium metabolite . It has the role of human blood serum metabolite . Its functional parent is L-phenylalanine . It is also related to or classified as dipeptide  .
The molecule C(C=O)[C@@H]([C@@H](CO)O)O is a deoxypentose that is D-ribose in which the hydroxy group at position C-2 is replaced by hydrogen. It has a role as a human metabolite, a Saccharomyces cerevisiae metabolite and a mouse metabolite. It derives from a D-ribose.
The molecule CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O is A methyl mannoside having alpha-configuration at the anomeric centre.  It is also related to or classified as alpha-D-mannoside  . It is also related to or classified as methyl mannoside .
The molecule C[N@+]12CCCC[C@@H]1CCC(=C(C3=CC=CS3)C4=CC=CS4)C2.[Br-] is a organic bromide salt of tiquizium. It is an antispasmodic drug used for the treatment of convulsion and hypermobility in gastritis, gastric ulcer, duodenal ulcer, enteritis, irritable bowel syndrome, gallbladder disease, biliary tract disease and urolithiasis. It has a role as a muscarinic antagonist, an antispasmodic drug and an anti-ulcer drug. It is an organic bromide salt and a quaternary ammonium salt. It contains a tiquizium.
The molecule O[C@@H]1CC(=C[C@@H](OP([O-])([O-])=O)[C@H]1O)C([O-])=O O[C@@H]1CC(=C[C@@H](OP([O-])([O-])=O)[C@H]1O)C([O-])=O is trianion of 3-phosphoshikimic acid arising from deprotonation of the phosphate and carboxy groups; major species at pH 7.3. It has the role of Saccharomyces cerevisiae metabolite . Its functional parent is shikimate . It is also related to or classified as hydroxy monocarboxylic acid anion , organophosphate oxoanion .