anonymous041/ChEBI-Augmented huggingface dataset:
The molecule O(C1[C@@H](O)[C@H](O)C(O[C@]1(C=2C(O)=C3C(OC(=CC3=O)C4=CC=C(O)C=C4)=CC2OC)[H])CO)[C@@H]5O[C@@H]([C@@H](O)C(O)C5O)COC(=O)/C=C/C6=CC(OC)=C(O)C(OC)=C6 O(C1[C@@H](O)[C@H](O)C(O[C@]1(C=2C(O)=C3C(OC(=CC3=O)C4=CC=C(O)C=C4)=CC2OC)[H])CO)[C@@H]5O[C@@H]([C@@H](O)C(O)C5O)COC(=O)/C=C/C6=CC(OC)=C(O)C(OC)=C6 is Spinosin 6'''-(E)-sinapoyl ester. It is also related to or classified as C-glycosyl compound , flavonoids .
The molecule [H][C@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCCO [H][C@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCCO is 5alpha-cholane-3alpha,7alpha,12alpha,24-tetrol. It is also related to or classified as 3alpha-hydroxy steroid  . It is also related to or classified as 7alpha-hydroxy steroid  . It is also related to or classified as 12alpha-hydroxy steroid , 24-hydroxy steroid .
The molecule C[n+]1cccc(c1)C([O-])=O C[n+]1cccc(c1)C([O-])=O is an iminium betaine that is the conjugate base of N-methylnicotinic acid, arising from deprotonation of the carboxy group. It has the role of plant metabolite . It has the role of food component . It has the role of human urinary metabolite . Its functional parent is nicotinate . It is also related to or classified as alkaloid  . It is also related to or classified as iminium betaine .
The molecule CC1C2=N[C@@](CC3=C([C@](C(=N3)/C(=C\\4/[C@H]([C@]([C@@]([N-]4)([C@H]5[C@@H]([C@@](C1=N5)(C)CCC(=O)[O-])CC(=O)[O-])C)(C)CC(=O)[O-])CCC(=O)[O-])/C)(C)CC(=O)[O-])CCC(=O)[O-])(C(=C2CCC(=O)[O-])C)C.[Co] is a precorrin carboxylic acid anion obtained by global deprotonation of the carboxy groups of cobalt-precorrin-8. It is a conjugate base of a cobalt-precorrin-8.
The molecule CN(C)CCCNC(=O)C[C@H]1C=C[C@H]([C@@H](O1)CO)NC(=O)C2=CC=CC=C2F CN(C)CCCNC(=O)C[C@H]1C=C[C@H]([C@@H](O1)CO)NC(=O)C2=CC=CC=C2F is N-[(2R,3R,6S)-6-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-2-fluorobenzamide. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .
The molecule C([C@H]([C@H]([C@H]([C@@H](C(=O)COP(=O)(O)O)O)O)O)O)OP(=O)(O)O is a sedoheptulose derivative and a ketoheptose phosphate. It has a role as an Escherichia coli metabolite and a mouse metabolite. It derives from a sedoheptulose. It is a conjugate acid of a sedoheptulose 1,7-bisphosphate(4-).
The molecule COC1=C(C2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)OC is a member of the class of pterocarpans that is 3-hydroxy-9,10-dimethoxypterocarpan in which the phenol hydrogen is replaced by a beta-D-glucosyl residue. It has a role as a plant metabolite. It is a monosaccharide derivative, a beta-D-glucoside, a member of pterocarpans and an aromatic ether.
The molecule P(OCC[N+](C)(C)C)(OC[C@H](OCC)COCCCCCCCCCCCCCCCC)([O-])=O P(OCC[N+](C)(C)C)(OC[C@H](OCC)COCCCCCCCCCCCCCCCC)([O-])=O is 2-O-ethyl PAF C-16. It is also related to or classified as glycerophosphocholine , ether lipid .
The molecule C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C is an organosulfonate oxoanion that is the conjugate base of tauroursodeoxycholic acid arising from deprotonation of the sulfonate OH group; major species at pH 7.3. It is a cholanic acid conjugate anion and an organosulfonate oxoanion. It is a conjugate base of a tauroursodeoxycholic acid.
The molecule COc1cc(-c2ccc(O)c(O)c2)c(OC)c(O)c1-c1ccc(O)c(O)c1 COc1cc(-c2ccc(O)c(O)c2)c(OC)c(O)c1-c1ccc(O)c(O)c1 is A  para-terphenyl that is the 3,3''-dihydroxy derivative of  terphenyllin. It has been isolated from Aspergillus taichungensis. It has the role of Aspergillus metabolite . Its functional parent is terphenyllin . It is also related to or classified as catechols  . It is also related to or classified as dimethoxybenzene , para-terphenyl .
The molecule O1C(C(O)C(O)C(OC(=O)/C=C/C2=CC(OC)=C(O)C=C2)C1OC(=O)/C=C/C3=CC(OC)=C(O)C(OC)=C3)COC4OC(C(O)C(O)C4O)CO O1C(C(O)C(O)C(OC(=O)/C=C/C2=CC(OC)=C(O)C=C2)C1OC(=O)/C=C/C3=CC(OC)=C(O)C(OC)=C3)COC4OC(C(O)C(O)C4O)CO is 2-Feruloyl-1-sinapoylgentiobiose. Its functional parent is hydroxycinnamic acid . It is also related to or classified as glycoside  .
The molecule [H][C@@]12CC[C@H]3C[C@]1(C(=O)C3=C)[C@@]1(O)OC[C@]22[C@H](CC[C@@](C)(COC(C)=O)[C@@]2([H])[C@@H]1O)OC(C)=O [H][C@@]12CC[C@H]3C[C@]1(C(=O)C3=C)[C@@]1(O)OC[C@]22[C@H](CC[C@@](C)(COC(C)=O)[C@@]2([H])[C@@H]1O)OC(C)=O is effusanin D. It has the role of metabolite . It is also related to or classified as kaurane diterpenoid .
The molecule C1=CC=C(C(=C1)C(=O)O)SCCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O is a benzoisoquinoline that is 1H-benzo[de]isoquinoline-1,3(2H)-dione in which the hydrogen attached to the nitrogen has been replaced by a 3-[(2-carboxyphenyl)thio]propyl group. It is a selective LPA2 receptor non-lipid agonist. It has a role as a G-protein-coupled receptor agonist and an apoptosis inhibitor. It is a benzoisoquinoline, an aryl sulfide and a member of benzoic acids.
The molecule CCCN1C[C@H]([C@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)COC)OC[C@@H]1C)C)OC)C CCCN1C[C@H]([C@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)COC)OC[C@@H]1C)C)OC)C is 2-methoxy-N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-propyl-11-oxa-3,8-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 C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N is a purine ribonucleoside 2'-monophosphate. It has a role as a Saccharomyces cerevisiae metabolite. It is a conjugate acid of an adenosine 2'-phosphate(2-).
The molecule OC1=CC=2C3=C(C=CC2C4=CC=C(O)C=C4)C=CC=C3C1=O OC1=CC=2C3=C(C=CC2C4=CC=C(O)C=C4)C=CC=C3C1=O is Irenolone. It is also related to or classified as benzenes , naphthalenes , ring assembly .
The molecule CCC(=O)N1C[C@H]([C@H](CN(C(=O)C2=C(C=C(C=C2)NS(=O)(=O)C)OC[C@@H]1C)C)OC)C CCC(=O)N1C[C@H]([C@H](CN(C(=O)C2=C(C=C(C=C2)NS(=O)(=O)C)OC[C@@H]1C)C)OC)C is N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(1-oxopropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide. 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)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)CO)O)O)O)O is a maltotetraose tetrasaccharide in which the glucose residue at the reducing end is in the aldehydo open-chain form. It has a role as an antibacterial agent and an Escherichia coli metabolite.
The molecule C1=CC(=CC=C1C(CC(=O)O)N)O is a beta-amino acid comprising propionic acid having amino and 4-hydroxyphenyl groups attached at the 3-position. It has a role as a bacterial metabolite. It derives from a propionic acid. It is a conjugate acid of a 3-amino-3-(4-hydroxyphenyl)propanoate. It is a tautomer of a 3-amino-3-(4-hydroxyphenyl)propanoic acid zwitterion.
The molecule [H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])CCCN2 [H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])CCCN2 is an indole alkaloid whose structural skeleton is found in many naturally occurring and synthetic ergolines which are known to bind to neurotransmitter receptors, such as dopamine, noradrenaline and serotonin receptors and function as unselective agonists or antagonists at these receptors. It is also related to or classified as diamine  . It is also related to or classified as organic heterotetracyclic compound , indole alkaloid fundamental parent , indole alkaloid , ergoline alkaloid .
The molecule COc1cc(-c2ccccc2)c(OC)c(O)c1-c1ccc(O)cc1 COc1cc(-c2ccccc2)c(OC)c(O)c1-c1ccc(O)cc1 is A para-terphenyl that is the 4''-deoxy derivative of  terphenyllin. It has been isolated from Aspergillus taichungensis. It has the role of Aspergillus metabolite . Its functional parent is terphenyllin . It is also related to or classified as phenols  . It is also related to or classified as dimethoxybenzene , para-terphenyl .
The molecule O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC(OC)=C(O)C=C4)COC(=O)CC(O)=O O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC(OC)=C(O)C=C4)COC(=O)CC(O)=O is Luteolin 3'-methyl ether 7-malonylglucoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule CN1CC[C@H]2CC[C@H]([C@H](O2)COC3=C(C=CC=C3C(=O)N(C[C@H](CC1=O)C4=CC=CC=C4)C)C#N)OC CN1CC[C@H]2CC[C@H]([C@H](O2)COC3=C(C=CC=C3C(=O)N(C[C@H](CC1=O)C4=CC=CC=C4)C)C#N)OC is LSM-42548. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [H][C@@]12CC[C@H]3C[C@]1(C(=O)C3=C)[C@@]1(O)OC[C@]22CCC[C@@](C)(COC(C)=O)[C@@]2([H])[C@@H]1O [H][C@@]12CC[C@H]3C[C@]1(C(=O)C3=C)[C@@]1(O)OC[C@]22CCC[C@@](C)(COC(C)=O)[C@@]2([H])[C@@H]1O is longikaurin C. It has the role of metabolite . It is also related to or classified as kaurane diterpenoid .
The molecule CCCCC/C=C\\C/C=C\\CCCCCCC/C=C/C(=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 is a 2,3-trans-enoyl CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (2E,11Z,14Z)-icosatrienoyl-CoA; major species at pH 7.3. It is a conjugate base of a (2E,11Z,14Z)-icosatrienoyl-CoA.
The molecule CC(=CCC1=C(C2=C(C=C1O)OC(=C(C2=O)O)C3=CC=CC=C3)O)C is a trihydroxyflavone that is galangin substituted by a prenyl group at position 6. It is a 7-hydroxyflavonol and a trihydroxyflavone. It derives from a galangin.
The molecule CO[C@@]1([C@@H]2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)O)NC(=O)CC3=CC=CS3 is a semisynthetic cephamycin antibiotic which, in addition to the methoxy group at the 7alpha position, has 2-thienylacetamido and carbamoyloxymethyl side-groups. It is resistant to beta-lactamase. It has a role as an antibacterial drug. It is a cephalosporin, a semisynthetic derivative, a beta-lactam antibiotic allergen and a cephamycin. It is a conjugate acid of a cefoxitin(1-).
The molecule C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)C3=CC=CC=C3 C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)C3=CC=CC=C3 is N-[(4S,7S,8R)-5-benzoyl-8-methoxy-4,7,10-trimethyl-11-oxo-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(CC[C@@H]([C@@H](/C=C/C=C/C=C\\C=C\\[C@H](CCCC(=O)O)O)O)O)CCO is a member of the class of lipoxins that is lipoxin B4 carrying an additional hydroxy substituent at position 20. It has a role as a human xenobiotic metabolite. It is an omega-hydroxy fatty acid, a lipoxin, a long-chain fatty acid and a hydroxy polyunsaturated fatty acid. It derives from a lipoxin B4. It is a conjugate acid of a 20-hydroxylipoxin B4(1-).
The molecule COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(OCC=C(C)C)c(O)c1 COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(OCC=C(C)C)c(O)c1 is A para-terphenyl that is 1,1':4',1''-terphenyl substituted by methoxy groups at positions 3' and 6', hydroxy groups at positions 2', 3 and 4'' and a prenyloxy group at position 4. It has been isolated from Aspergillus taichungensis. It has the role of Aspergillus metabolite . It is also related to or classified as phenols  . It is also related to or classified as dimethoxybenzene , para-terphenyl .
The molecule [H][C@@]1(CCNC1=O)NC(=O)CC(=O)CCCCCCCCC [H][C@@]1(CCNC1=O)NC(=O)CC(=O)CCCCCCCCC is A member of the class of pyrrolidin-2-ones that is pyrrolidin-2-one in which a hydrogen at the 3 pro-S position is replaced by a 3-oxododecanamido group. It has the role of epitope . Its functional parent is 3-oxolauric acid . It is also related to or classified as pyrrolidin-2-ones  .
The molecule O([C@H]1C(O)[C@@H](O)C(O[C@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3CC=C(C)C)C4=CC=C(OC)C=C4)C)[C@@H]5OC([C@H](O)C(O)[C@@H]5O)C O([C@H]1C(O)[C@@H](O)C(O[C@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3CC=C(C)C)C4=CC=C(OC)C=C4)C)[C@@H]5OC([C@H](O)C(O)[C@@H]5O)C is Anhydroicaritin 3-rhamnosyl-(1->2)-rhamnoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule [H][C@@]12CC[C@H]3C[C@]1(C(=O)C3=C)[C@@]1(O)OC[C@]22CC[C@H](OC(C)=O)[C@@](C)(COC(C)=O)[C@@]2([H])[C@@H]1O [H][C@@]12CC[C@H]3C[C@]1(C(=O)C3=C)[C@@]1(O)OC[C@]22CC[C@H](OC(C)=O)[C@@](C)(COC(C)=O)[C@@]2([H])[C@@H]1O is maoecrystal J. It has the role of metabolite . It is also related to or classified as kaurane diterpenoid .
The molecule NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O is A pyridine nucleoside consisting of nicotinamide with a beta-D-ribofuranosyl moiety at the 1-position. It has the role of geroprotector . It has the role of mouse metabolite . It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . It is also related to or classified as N-glycosylnicotinamide , pyridine nucleoside .
The molecule C1=C(C=C(C(=C1Cl)C2=C(C=C(C=C2Cl)Cl)Cl)Cl)Cl is a hexachlorobiphenyl that is biphenyl in which both of the phenyl rings are substituted at positons 2, 4, and 6 by chlorines. It is a hexachlorobiphenyl and a trichlorobenzene.
The molecule C[N@@+]1(CCC2=CC(=C(C=C2[C@H]1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N@+]4(CCC5=CC(=C(C=C5[C@H]4CC6=CC(=C(C=C6)OC)OC)OC)OC)C is a diester that is the (1R,1'R,2R,2'R)-diastereoisomer of atracurium, a quaternary ammonium ion consisting of pentane-1,5-diol with both hydroxy functions bearing 3-[1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolinium-2(1H)-yl]propanoyl groups. The active species in the skeletal muscle relaxant cisatracurium besylate. It has a role as a muscle relaxant and a nicotinic antagonist. It is a diester and a quaternary ammonium ion.
The molecule C1OC2=C(O1)C=C(C=C2)/C=C/C=C/C(=O)O is a monocarboxylic acid that is (E)-penta-2,4-dienoic acid substituted by a 1,3-benzodioxol-5-yl group at position 5. It has been isolated from black pepper (Piper nigrum). It has a role as a plant metabolite. It is a member of benzodioxoles and an alpha,beta-unsaturated monocarboxylic acid. It derives from an (E)-penta-2,4-dienoic acid.
The molecule C1=C[C@@H]([C@](C=C1)(C(=O)[O-])O)O is the (1R,6S)-enantiomer of cis-1,6-dihydroxycyclohexa-2,4-dienecarboxylate. It is a conjugate base of a (1R,6S)-1,6-dihydroxycyclohexa-2,4-dienecarboxylic acid. It is an enantiomer of a (1S,6R)-1,6-dihydroxycyclohexa-2,4-diene-1-carboxylate.
The molecule Nc1ccc(cc1)[As](O)([O-])=O Nc1ccc(cc1)[As](O)([O-])=O is the conjugate base of arsenilic acid. It is also related to or classified as organoarsonic acid anion .
The molecule O(CC(CCCCCC)CCCC)S([O-])(=O)=O O(CC(CCCCCC)CCCC)S([O-])(=O)=O is an organosulfate oxoanion that is the conjugate base of 2-butyloctyl hydrogen sulfate, obtained by deprotonation of the sulfate group. Major microspecies at pH 7.3. It is also related to or classified as organosulfate oxoanion  .
The molecule C/C/1=C/2\\[C@@]([C@@H](/C(=C/C3=[NH+]/C(=C(\\C4=[NH+][C@H]([C@@H]([C@@]4(C)CCC(=O)[O-])CC(=O)[O-])[C@]5([C@@]([C@@H](C1=[NH+]5)CCC(=O)[O-])(C)CC(=O)[O-])C)/C)/[C@H](C3(C)C)CCC(=O)[O-])/N2)CCC(=O)[O-])(C)CC(=O)[O-] is a precorrin carboxylic acid anion that is the tetraanionic form of hydrogenobyrinic acid. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate base of a hydrogenobyrinic acid. It is a conjugate acid of a hydrogenobyrinate(6-).
The molecule [H][C@@]12CC[C@@H]3C[C@]1([C@H](OC(C)=O)C3=C)C(=O)OC[C@]21CC[C@H](OC(C)=O)[C@@](C)(COC(C)=O)[C@H]1C=O [H][C@@]12CC[C@@H]3C[C@]1([C@H](OC(C)=O)C3=C)C(=O)OC[C@]21CC[C@H](OC(C)=O)[C@@](C)(COC(C)=O)[C@H]1C=O is Maoesin F. It has the role of metabolite . It is also related to or classified as delta-lactone  .
The molecule COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(O)c(CC=C(C)C)c1 COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(O)c(CC=C(C)C)c1 is A para-terphenyl that is 1,1':4',1''-terphenyl substituted by methoxy groups at positions 3' and 6', a prenyl group at position 3 and hydroxy groups at positions 2', 4 and 4''. Isolated from the fungus, Aspergillus taichungensis, it exhibits cytotoxic activity. It has the role of antineoplastic agent . It has the role of Aspergillus metabolite . It is also related to or classified as phenols  . It is also related to or classified as dimethoxybenzene , para-terphenyl .
The molecule CNc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O CNc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O is guanosine with the hydrogen on the amine at position N-2 substituted with a methyl group. It has the role of metabolite . It is also related to or classified as methylguanosine .
The molecule CCOC(=O)C1=C(N2C(=CC(=N2)C3=CC=C(C=C3)C(C)(C)C)N=C1)N CCOC(=O)C1=C(N2C(=CC(=N2)C3=CC=C(C=C3)C(C)(C)C)N=C1)N is 7-amino-2-(4-tert-butylphenyl)-6-pyrazolo[1,5-a]pyrimidinecarboxylic acid ethyl ester. It is also related to or classified as pyrazoles , ring assembly .
The molecule CCCCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)([O-])[O-])CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)OP(=O)([O-])[O-])OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O is a lipid A oxoanion arising from deprotonation of the phosphate OH groups of palmitoyllipid A; major species at pH 7.3. It is a conjugate base of a palmitoyllipid A.
The molecule OC(=O)[C@H](OC(=O)\C=C\C1=CC=C(O)C(O)=C1)[C@@H](OC(=O)\C=C\C1=CC=C(O)C(O)=C1)C(O)=O OC(=O)[C@H](OC(=O)\C=C\C1=CC=C(O)C(O)=C1)[C@@H](OC(=O)\C=C\C1=CC=C(O)C(O)=C1)C(O)=O is chicoric acid. It has the role of geroprotector . It has the role of HIV-1 integrase inhibitor . Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule O([C@H]1[C@@H](O)[C@H](O[C@H](O)[C@@H]1O)CO)[C@H]2O[C@H]([C@@H](O)[C@@H](O)[C@@H]2O)C O([C@H]1[C@@H](O)[C@H](O[C@H](O)[C@@H]1O)CO)[C@H]2O[C@H]([C@@H](O)[C@@H](O)[C@@H]2O)C is A beta-L-Fucp-(1->3)-D-Galp in which the carbon bearing the anomeric hydroxy group has alpha configuration. Its functional parent is alpha-D-galactose . It is also related to or classified as beta-L-Fucp-(1->3)-D-Galp  .
The molecule CCCCCCCCCC/C=C/C1=CC2=C(C=C1)OCO2 is a member of the class of benzodioxoles that is 1,3-benzodioxole in which the hydrogen at position 5 has been replaced by a dodec-1-en-1-yl group. It has a role as a plant metabolite and an EC 3.2.1.20 (alpha-glucosidase) inhibitor. It is a member of benzodioxoles and an olefinic compound.
The molecule CCC(=O)N(C)C[C@@H]1[C@H]([C@@H](N1CC2=CN=CC=C2)CO)C3=CC=CC=C3 CCC(=O)N(C)C[C@@H]1[C@H]([C@@H](N1CC2=CN=CC=C2)CO)C3=CC=CC=C3 is N-[[(2S,3R,4R)-4-(hydroxymethyl)-3-phenyl-1-(3-pyridinylmethyl)-2-azetidinyl]methyl]-N-methylpropanamide. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule CCCCCCCCCCCCCC(CCCC(=O)[O-])OC(=O)CCCCCCC/C=C\\CCCCCC is a monocarboxylic acid anion that is the conjugate base of 5-[(9Z)-hexadecenoyloxy]octadecanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a 5-[(9Z)-hexadecenoyloxy]octadecanoic acid.
The molecule O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)([O-])[O-])CC(=O)CCC=CCC=CCC=CCC=CCC O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)([O-])[O-])CC(=O)CCC=CCC=CCC=CCC=CCC is 3-oxo-(6Z,9Z,12Z,15Z)-octadecatetraenoyl-CoA(4-). It is also related to or classified as long-chain 3-oxo-fatty acyl-CoA(4-)  . It is also related to or classified as polyunsaturated fatty acyl-CoA(4-)  .
The molecule COc1cc2oc3c(OC)c(cc(OC)c3c2cc1O)-c1ccc(O)c(CC=C(C)C)c1 COc1cc2oc3c(OC)c(cc(OC)c3c2cc1O)-c1ccc(O)c(CC=C(C)C)c1 is A member of the class of dibenzofurans that is 3,6,9-trimethoxydibenzo[b,d]furan-2-ol substituted by a 4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl substituent at position 3. It has been isolated from Aspergillus taichungensis. It has the role of antineoplastic agent . It has the role of Aspergillus metabolite . It is also related to or classified as phenols  . It is also related to or classified as aromatic ether , dibenzofurans .
The molecule CNCCc1ccc(O)cc1 CNCCc1ccc(O)cc1 is N-methyltyramine. It has the role of mouse metabolite . It is also related to or classified as tyramines .
The molecule C[C@@H]1[C@@H]([C@@H]([C@H](C(O1)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)NC(=O)C is the nucleotide-sugar oxoanion which is the dianion formed from dTDP-4-acetamido-4,6-dideoxy-D-galactose by deprotonation of the two phosphate OH groups. It is a conjugate base of a dTDP-4-acetamido-4,6-dideoxy-D-galactose.
The molecule C=1(C=C(C(=C(C1C)O)C=O)CC(CCCCCCCCC)=O)O C=1(C=C(C(=C(C1C)O)C=O)CC(CCCCCCCCC)=O)O is A dihydroxybenzaldehyde that is 2,4-dihydroxybenzaldehyde in which the hydrogens at positions 3 and 6 have been replaced by a methyl and 2-oxoundecyl groups, respectively. It has the role of Aspergillus metabolite . It is also related to or classified as ketone  . It is also related to or classified as dihydroxybenzaldehyde  .
The molecule COC(CN(C(C1=CC=C(C=C1)Cl)C(=O)NC2CCCCC2)C(=O)CCl)OC COC(CN(C(C1=CC=C(C=C1)Cl)C(=O)NC2CCCCC2)C(=O)CCl)OC is 2-[(2-chloro-1-oxoethyl)-(2,2-dimethoxyethyl)amino]-2-(4-chlorophenyl)-N-cyclohexylacetamide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C(C=3OC=4C(C(=O)C3)=C(O)C=C(OC)C4)=CC=CC2)COC(=O)C O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C(C=3OC=4C(C(=O)C3)=C(O)C=C(OC)C4)=CC=CC2)COC(=O)C is Echioidinin 2'-(6''-acetylglucoside). It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule [H][C@@]12C[C@@H](CC[C@@]1([H])[C@]1(C)CC[C@@H](O)C(C)(C)[C@@]1([H])[C@H](O)C2=O)C(=C)C=O [H][C@@]12C[C@@H](CC[C@@]1([H])[C@]1(C)CC[C@@H](O)C(C)(C)[C@@]1([H])[C@H](O)C2=O)C(=C)C=O is 3alpha,6beta-dihydroxy-7,17-dioxo-ent-abieta-15(16)-ene. It has the role of metabolite . It is also related to or classified as diterpenoid  .
The molecule C(CO)C(=O)[O-] is a hydroxy monocarboxylic acid anion that is the conjugate base of 3-hydroxypropionic acid. It has a role as a human metabolite. It derives from a propionate. It is a conjugate base of a 3-hydroxypropionic acid.
The molecule C1=CC(=CC=C1C(=C(Cl)Cl)C2=C(C(=C(C=C2)Cl)O)O)Cl is a member of monochlorobenzenes, a member of catechols and a chlorophenylethylene. It has a role as a mouse metabolite.
The molecule S([C@@]1(NC(=O)[C@@](OC)(CO)NC1=O)CC=2C3=C(C=CC=C3)NC2)C S([C@@]1(NC(=O)[C@@](OC)(CO)NC1=O)CC=2C3=C(C=CC=C3)NC2)C is Chetocochliodin D. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O[C@H]4[C@H]([C@H](O[C@H]([C@@H]4O)O[C@@H]5[C@H](O[C@H]([C@@H]([C@H]5O)NC(=O)C)O)CO)CO)O)CO)CO)O)O is alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-D-GlcpNAc in which the anomeric configuration of the reducing-end N-acetyl-D-glucosamine residue is beta. It has a role as an epitope.
The molecule NC(=O)CCC(=O)C(O)=O NC(=O)CCC(=O)C(O)=O is 2-oxoglutaramic acid. Its functional parent is glutaramic acid . It is a conjugate acid of 2-oxoglutaramate . It is also related to or classified as 2-oxo monocarboxylic acid  .
The molecule CCCCCCCC/C=C\\CCOS(=O)(=O)O is a sulfuric ester obtained by the formal condensation of (3Z)-dodec-3-en-1-ol with sulfuric acid. It has a role as a Daphnia pulex metabolite and a kairomone. It is an organic sulfate and a sulfuric ester. It is a conjugate acid of a (3Z)-dodec-3-en-1-yl sulfate.