anonymous041/ChEBI-Augmented huggingface dataset:
The molecule OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O is the 6-O-phospho derivative of D-glucitol. It has the role of mouse metabolite . It has the role of Escherichia coli metabolite . Its functional parent is D-glucitol . It is a conjugate acid of D-glucitol 6-phosphate(2-) . It is also related to or classified as glucitol phosphate , alditol 6-phosphate .
The molecule c1ccc2c(c1)nc(-c1c[nH]c3ccccc13)c1[nH]ccc21 c1ccc2c(c1)nc(-c1c[nH]c3ccccc13)c1[nH]ccc21 is Marinoquinoline E. It has the role of metabolite . It is also related to or classified as pyrroloquinoline  .
The molecule [H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@](C)(O)[C@H](C)CC[C@@]5(CC[C@@]34C)C(O)=O)[C@@]1(C)C[C@@H](O)[C@H](O)C2(C)C [H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@](C)(O)[C@H](C)CC[C@@]5(CC[C@@]34C)C(O)=O)[C@@]1(C)C[C@@H](O)[C@H](O)C2(C)C is Tormentic acid. It has the role of metabolite . It is also related to or classified as triterpenoid  .
The molecule OC1(C(=O)Nc2ccccc12)c1nccs1 OC1(C(=O)Nc2ccccc12)c1nccs1 is an oxindole that is indolin-2-one substituted at position 3 by thiazol-2-yl and hydroxy groups. It has the role of metabolite . Its functional parent is indolin-2-one . It is also related to or classified as tertiary alcohol  . It is also related to or classified as 1,3-thiazoles , oxindoles .
The molecule CCCCC[C@@H](/C=C/C=C\\C/C=C\\CCCCCCC(=O)[O-])OO is a hydroperoxyicosatrienoate resulting from the deprotonation of the carboxy group of (8Z,11Z,13E,15S)-15-hydroperoxyicosa-8,11,13-trienoic acid. The major species at pH 7.3. It is a conjugate base of an (8Z,11Z,13E,15S)-15-hydroperoxyicosa-8,11,13-trienoic acid.
The molecule CC1=CC(=CC(=C1O)C/C=C(\\C)/CC(=O)/C=C(/C)\\CCCC(C)C(=O)C(C=C(C)C)O)OC is a meroterpenoid that is hexadeca-2,6,14-triene-5,12-dione substituted by a hydroxy group at position 13, a 2-hydroxy-5-methoxy-3-methylphenyl group at position 1 and methyl groups at positions 3, 7, 11 and 15. Isolated from Halidrys siliquosa, it exhibits antibacterial and antifouling activities. It has a role as a metabolite, an antifouling biocide and an antibacterial agent. It is a meroterpenoid, a member of phenols, an aromatic ether, an enone, a secondary alcohol and a secondary alpha-hydroxy ketone.
The molecule CC[C@@H](C)C(=O)C(O)=O CC[C@@H](C)C(=O)C(O)=O is the (R)-enantiomer of 3-methyl-2-oxovaleric acid. It is a conjugate acid of (R)-3-methyl-2-oxovalerate . It is also related to or classified as 3-methyl-2-oxovaleric acid  .
The molecule CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=CC(=NC4=O)N)O is a single-stranded DNA polynucleotide consisting of a repeating unit of thymidine and deoxycytidine residues, with all residues connected by 3'->5' phosphodiester linkages.
The molecule Oc1ccc(Cc2nc3ccccc3c3cc[nH]c23)cc1 Oc1ccc(Cc2nc3ccccc3c3cc[nH]c23)cc1 is Marinoquinoline D. It has the role of metabolite . It is also related to or classified as pyrroloquinoline  .
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](OC([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O is a galactotriose consisting of two beta-D-galactopyranose residues and a D-galactopyranose residue joined in sequence by (1->4) glycosidic bonds. It derives from a beta-D-galactopyranosyl-(1->4)-D-galactopyranose and a beta-D-galactopyranosyl-(1->4)-beta-D-galactopyranose.
The molecule [H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@](C)(O)[C@H](C)CC[C@@]5(CC[C@@]34C)C(O)=O)[C@@]1(C)C[C@H](O)[C@H](O)C2(C)C [H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@](C)(O)[C@H](C)CC[C@@]5(CC[C@@]34C)C(O)=O)[C@@]1(C)C[C@H](O)[C@H](O)C2(C)C is 2beta-hydroxypomolic acid. It has the role of metabolite . It is also related to or classified as triterpenoid  .
The molecule N[C@@H](CCC(=O)N[C@@H](CSC(C#N)c1c[nH]c2ccccc12)C(O)=O)C(O)=O N[C@@H](CCC(=O)N[C@@H](CSC(C#N)c1c[nH]c2ccccc12)C(O)=O)C(O)=O is an S-conjugate dipeptide consisting of L-gamma-glutamyl-L-cysteine in which the the cysteine side chain is substituted by a cyano(indol-3-yl)methyl group. It has the role of metabolite . Its functional parent is indole-3-acetonitrile . Its functional parent is gamma-glutamylcysteine . It is also related to or classified as nitrile  .  It is also related to or classified as dipeptide  . It is also related to or classified as indoles , S-conjugate .
The molecule CC1=CC2=C(C=C1C)N=CN2 is a dimethylbenzimidazole carrying methyl substituents at positions 5 and 6. It has a role as an Escherichia coli metabolite and a human metabolite.
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC[C@@H]2[C@H]([C@@H]([C@@H]([C@H](O2)OC[C@@H]3[C@H]([C@@H]([C@@H]([C@@H](O3)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)NC(=O)C)O[C@@H]5[C@H](OC([C@@H]([C@H]5O)NC(=O)C)O)CO)CO)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O)O)O)O)NC(=O)C)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)O)O)NC(=O)C)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)O)O)NC(=O)C)O)O)CO)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)O)O is an amino oligosaccharide (heptadecasaccharide) in which two alpha-D-mannose residues, each of which has linked to it a trisaccharide sequence of two beta-D-galactose residues and an N-acetyl-beta-D-glucosamine residue, are linked (1->4) and (1->6) to the mannose residue of a trisaccharide sequence of beta-D-mannose, N-acetyl-beta-D-glucosamine and N-acetyl-D-glucosamine residues all linked (1->4). It is an amino oligosaccharide and a glucosamine oligosaccharide.
The molecule CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP([O-])([O-])=O CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP([O-])([O-])=O is dianion of N-acetyl-alpha-D-glucosamine 1-phosphate arising from deprotonation of the phosphate OH groups; major species at pH 7.3. It is also related to or classified as organophosphate oxoanion .
The molecule N[C@H](CO)C(O)=O N[C@H](CO)C(O)=O is the R-enantiomer of serine. It has the role of NMDA receptor agonist . It has the role of Escherichia coli metabolite . It has the role of human metabolite . It is a conjugate acid of D-serinate . It is also related to or classified as D-alpha-amino acid  . It is also related to or classified as serine  .
The molecule CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(O)=O CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(O)=O is A glutamyl-L-amino acid obtained by formal condensation of the gamma-carboxy group of glutamic acid with the amino group of leucine. It has the role of human metabolite . Its functional parent is glutamic acid . Its functional parent is leucine . It is a conjugate acid of gamma-Glu-Leu(1-) . It is also related to or classified as glutamyl-L-amino acid .
The molecule C(c1ccccc1)c1nc2ccccc2c2cc[nH]c12 C(c1ccccc1)c1nc2ccccc2c2cc[nH]c12 is Marinoquinoline C. It has the role of metabolite . It is also related to or classified as pyrroloquinoline  .
The molecule [H][C@@]12CC[C@]3(C)[C@]([H])(C=C[C@]45C[C@]34CC[C@]3(CC[C@@H](C)C(=C)[C@@]53[H])C(O)=O)[C@@]1(C)C[C@@H](O)[C@H](O)C2(C)C [H][C@@]12CC[C@]3(C)[C@]([H])(C=C[C@]45C[C@]34CC[C@]3(CC[C@@H](C)C(=C)[C@@]53[H])C(O)=O)[C@@]1(C)C[C@@H](O)[C@H](O)C2(C)C is Euscaphic acid F. It has the role of metabolite . It is also related to or classified as triterpenoid  .
The molecule OC[C@H]1OC(OC(=O)c2c[nH]c3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1OC(OC(=O)c2c[nH]c3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O is an O-acyl carbohydrate obtained by formal condensation of the carboxy group of indole-3-carboxylic acid with the anomeric hydroxy group of D-glucose. It has the role of metabolite . Its functional parent is indole-3-carboxylic acid .  It is also related to or classified as D-glucoside  . It is also related to or classified as indolyl carbohydrate , O-acyl carbohydrate .
The molecule CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\\CCCCCCCC)COP(=O)(O)OC[C@@H](C(=O)O)N is a 3-sn-phosphatidyl-L-serine in which the phosphatidyl acyl groups at positions 1 and 2 are specified as oleoyl and stearoyl respectively. It derives from an oleic acid and an octadecanoic acid. It is a conjugate acid of a 1-oleoyl-2-stearoyl-sn-glycero-3-phospho-L-serine(1-).
The molecule C=C/C=C/1\\C2C(=C(C1=O)O)C=CCO2 is an organic heterobicyclic compound that is 7,7a-dihydrocyclopenta[b]pyran-6(2H)-one substituted by a hydroxy group at position 5 and a prop-2-en-1-ylidene group at position 7 (the E isomer). Isolated from the sponge Ulosa and ascidian Diplosoma virens, it exhibits antimicrobial activity and toxicity against HCT116 cells (human colorectal cancer cells) by triggering apoptotic cell death. It has a role as a metabolite, an antimicrobial agent and an antineoplastic agent. It is an organic heterobicyclic compound, an enol, an enone and a cyclic ether.
The molecule CC(C)CC1=NC2=CC=CC=C2C2=C1NC=C2 CC(C)CC1=NC2=CC=CC=C2C2=C1NC=C2 is A pyrroloquinoline that is 3H-pyrrolo[2,3-c]quinoline substituted by an isobutyl group at position 4. It is a natural product found in Ohtaekwangia kribbensis. It has the role of bacterial metabolite . It is also related to or classified as pyrroloquinoline  .
The molecule [H][C@@]12CC[C@]3(C)[C@]([H])(C=C[C@]45C[C@]34CC[C@]3(CC[C@@H](C)[C@H](C)[C@@]53[H])C(O)=O)[C@@]1(C)C[C@@H](O)[C@H](O)C2(C)C [H][C@@]12CC[C@]3(C)[C@]([H])(C=C[C@]45C[C@]34CC[C@]3(CC[C@@H](C)[C@H](C)[C@@]53[H])C(O)=O)[C@@]1(C)C[C@@H](O)[C@H](O)C2(C)C is Euscaphic acid E. It has the role of metabolite . It is also related to or classified as triterpenoid  .
The molecule OC[C@@H]1C[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)O1 OC[C@@H]1C[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)O1 is A trisaccharide consisting of three mannopyranose residues linked beta(1->2), of which the residue at the reducing end is dehydroxylated at C-4. It is also related to or classified as trisaccharide .
The molecule CC(C)[C@]1(C(=O)NC(=N1)C2=C(C=CC=N2)C(=O)O)C is a 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)nicotinic acid that has S configuration. It is a conjugate acid of a (S)-imazapyr(1-). It is an enantiomer of a (R)-imazapyr.
The molecule C[C@H](CCC(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)O)[C@H]4CC[C@@H]5[C@@]4([C@H](C[C@H]6[C@H]5[C@@H](C[C@H]7[C@@]6(CC[C@H](C7)O)C)O)O)C is a cholestanoyl-CoA formed by thioester linkage between 3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-26-oic acid and coenzyme A. It has a role as a bile acid metabolite, a human metabolite and a mouse metabolite.
The molecule C[C@H](N)C[C@H](N)CC([O-])=O C[C@H](N)C[C@H](N)CC([O-])=O is A diamino acid anion that is the conjugate base of (3S,5S)-3,5-diaminohexanoic acid, obtained by deprotonation of the carboxy group. Its functional parent is hexanoate . It is also related to or classified as diamino acid anion .
The molecule CCCCCC(=O)/C=C/[C@@H]1[C@H]([C@H](CC1=O)O)C/C=C\\CCCC(=O)O is the 15-dehydro derivative of prostaglandin D2. It derives from a prostaglandin D2. It is a conjugate acid of a 15-dehydro-prostaglandin D2(1-).
The molecule CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O is a beta-D-glucoside in which the aglycone species is chrysophanol, the glycosidic linkage being to the hydroxy group at C-8. It is a beta-D-glucoside and a monohydroxyanthraquinone. It derives from a chrysophanol.
The molecule [H][C@]12CC[C@@]3(C)[C@@]([H])(CC[C@@]3(O)C#C)[C@]1([H])CCc1cc(OC)ccc21 [H][C@]12CC[C@@]3(C)[C@@]([H])(CC[C@@]3(O)C#C)[C@]1([H])CCc1cc(OC)ccc21 is A terminal acetylenic compound that is (17alpha)-17-ethynylestra-1(10),2,4-triene substituted by a methoxy group at position 3 and a hydroxy group at position 17. It has the role of prodrug . It has the role of xenoestrogen . Its functional parent is 17beta-estradiol . It is also related to or classified as 17beta-hydroxy steroid  .  It is also related to or classified as terminal acetylenic compound  . It is also related to or classified as aromatic ether .
The molecule C[C@@H]1C(=O)[C@@H](C[C@H](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 is a dTDP-sugar having 4-dehydro-2,6-dideoxy-alpha-D-glucose as the sugar component. It has a role as a bacterial metabolite. It is a dTDP-sugar and a secondary alpha-hydroxy ketone. It derives from a dTDP-D-glucose. It is a conjugate acid of a dTDP-4-dehydro-2,6-dideoxy-alpha-D-glucose(2-).
The molecule [H][C@@]12CC[C@]3(C)[C@]([H])(C=C[C@]45C[C@]34CC[C@]3(CC[C@@H](C)[C@@](C)(O)[C@@]53[H])C(O)=O)[C@@]1(C)C[C@@H](O)[C@H](O)C2(C)C [H][C@@]12CC[C@]3(C)[C@]([H])(C=C[C@]45C[C@]34CC[C@]3(CC[C@@H](C)[C@@](C)(O)[C@@]53[H])C(O)=O)[C@@]1(C)C[C@@H](O)[C@H](O)C2(C)C is Euscaphic acid D. It has the role of metabolite . It is also related to or classified as triterpenoid  .
The molecule COC(=O)c1c[nH]c2ccccc12 COC(=O)c1c[nH]c2ccccc12 is the methyl ester of indole-3-carboxylic acid. It has the role of metabolite . Its functional parent is indole-3-carboxylic acid .  It is also related to or classified as methyl ester  . It is also related to or classified as indoles .
The molecule C(CCC(O)O)C/C=C\\C[C@H](CC/C=C/C=C\\[C@H](CCCC(=O)[O-])O)O is an icosanoid anion that is the conjugate base of 10,11-dihydro-20,20-dihydroxyleukotriene B4, obtained by deprotonation of the carboxy group; major species at pH 7.3.
The molecule CC1=CC[C@H](CC1)C2=CCCC(C2)(C)C is a sesquiterpene that is 1,1'-bi(cyclohexane)-1,3'-diene substituted at positions 4', 5, and 5 by methyl groups (the S- enantiomer). It is a cyclic hydrocarbon and a sesquiterpene.
The molecule CCCCCCCCC=O CCCCCCCCC=O is A saturated fatty aldehyde formally arising from reduction of the carboxy group of nonanoic acid. Metabolite observed in cancer metabolism. It has the role of plant metabolite . It has the role of human metabolite . Its functional parent is nonanoic acid . It is also related to or classified as n-alkanal  . It is also related to or classified as saturated fatty aldehyde  . It is also related to or classified as medium-chain fatty aldehyde  .
The molecule CC1=NC2=CC=CC=C2C2=C1NC=C2 CC1=NC2=CC=CC=C2C2=C1NC=C2 is A pyrroloquinoline that is 3H-pyrrolo[2,3-c]quinoline substituted by a methyl group at position 4. It is a natural product found in Ohtaekwangia kribbensis and Rapidithrix thailandica. It has the role of bacterial metabolite . It is also related to or classified as pyrroloquinoline  .
The molecule CCCCCCCC/C=C\\CCCCCCCC(=O)OCCOCC([C@@H]1[C@@H](C(CO1)OCCO)OCCO)OCCO is a polymer composed of PEG-ylated sorbitan, where the total number of poly(ethylene glycol) units is 20 (w + x + y + z = 20) and a single terminal is capped by an oleoyl group. It has a role as a nonionic surfactant.
The molecule [H][C@@]12CC[C@]3(C)[C@]([H])(C=C[C@]45C[C@]34CC[C@]3(CC[C@@H](C)[C@@](C)(O)[C@@]53[H])C(O)=O)[C@@]1(C)C[C@@H](O)[C@@H](O)C2(C)C [H][C@@]12CC[C@]3(C)[C@]([H])(C=C[C@]45C[C@]34CC[C@]3(CC[C@@H](C)[C@@](C)(O)[C@@]53[H])C(O)=O)[C@@]1(C)C[C@@H](O)[C@@H](O)C2(C)C is Euscaphic acid C. It has the role of metabolite . It is also related to or classified as triterpenoid  .
The molecule CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@@H]1[C@@H](N)C[C@@H](N)[C@H](O)[C@H]1O CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@@H]1[C@@H](N)C[C@@H](N)[C@H](O)[C@H]1O is an aminoglycoside that is 4alpha,6alpha-diaminocyclohexane-1beta,2alpha,3beta-triol in which the pro-R hydroxy group has been converted into its 2-acetamido-alpha-D-glucoside derivative. Its functional parent is alpha-D-glucose . Its functional parent is 2-deoxystreptamine . It is also related to or classified as aminoglycoside .
The molecule C1=CC=C2C(=C1)C(=CN2)CCCC(=O)N[C@@H](CCC(=O)N)C(=O)O is an N(2)-acyl-L-glutamine that has 4-(1H-indol-3-yl)butanoyl as the acyl group. It is a member of indoles, a N(2)-acyl-L-glutamine, a primary carboxamide and a secondary carboxamide. It derives from an indole-3-butyric acid. It is a conjugate acid of a N(2)-[4-(indol-3-yl)butanoyl]-L-glutaminate.
The molecule C[C@H]1[C@@H](C[C@H]([C@@H](O1)O[C@H](C)CCCCCCCC(=O)O)O)O is an (omega-1)-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (9R)-9-hydroxydecanoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans. It has a role as a Caenorhabditis elegans metabolite. It is a monocarboxylic acid and an (omega-1)-hydroxy fatty acid ascaroside. It derives from a (9R)-9-hydroxydecanoic acid. It is a conjugate acid of an ascr#16(1-).
The molecule C[C@H](OP(O)([O-])=O)C([O-])=O C[C@H](OP(O)([O-])=O)C([O-])=O is the dianion obtained by removal of two acidic protons from 2-phospho-L-lactic acid. It is also related to or classified as carboxylic acid dianion , organophosphate oxoanion .
The molecule OCC(=O)[C@@H](O)[C@@H](O)[C@H](O)C([O-])=O OCC(=O)[C@@H](O)[C@@H](O)[C@H](O)C([O-])=O is conjugate base of D-tagaturonic acid. It has the role of Escherichia coli metabolite . It is also related to or classified as tagaturonate .
The molecule C1CCC(CC1)N2C=NC(=C2C3=NC(=NC=C3)N)C4=CC=C(C=C4)F is a member of the class of imidazoles that is 1H-imidazole which is substituted at positions 1, 4, and 5 by cyclohexyl, p-fluorophenyl, and 2-aminopyrimidin-4-yl groups, respectively. It is a selective inhibitor of the delta- and epsilon-isoforms of casein kinase 1 (CK1delta and CK1epsilon). It has a role as an EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor. It is a member of imidazoles, an aminopyrimidine and a member of monofluorobenzenes. It is a conjugate base of a PF-670462 free base(2+).
The molecule [H][C@]12CC[C@@](C)(O)[C@]1([H])[C@]1([H])[C@]([H])(CC[C@]2(C)O)C1(C)C [H][C@]12CC[C@@](C)(O)[C@]1([H])[C@]1([H])[C@]([H])(CC[C@]2(C)O)C1(C)C is ent-4beta,10alpha-dihydroxyaromadendrane. It has the role of metabolite . It is also related to or classified as sesquiterpenoid .
The molecule C[C@H](O)[C@@H](N)C(O)=O C[C@H](O)[C@@H](N)C(O)=O is an optically active form of threonine having D-configuration. It has the role of Saccharomyces cerevisiae metabolite . It is a conjugate acid of D-threoninate . It is also related to or classified as D-alpha-amino acid  . It is also related to or classified as threonine  .
The molecule C[C@H](C(=O)[O-])[C@@](CC(=O)[O-])(C(=O)[O-])O is trianion arising from deprotonation of all three carboxylic acid groups of (2S,3S)-2-methylcitric acid. It is a conjugate base of a (2S,3S)-2-methylcitric acid.
The molecule [H][C@@]12CC[C@]3(C)[C@]([H])(C=C[C@]45C[C@]34CC[C@]3(CC[C@@H](C)[C@@](C)(O)[C@@]53[H])C(O)=O)[C@@]1(C)CC[C@H](O)[C@@]2(C)CO [H][C@@]12CC[C@]3(C)[C@]([H])(C=C[C@]45C[C@]34CC[C@]3(CC[C@@H](C)[C@@](C)(O)[C@@]53[H])C(O)=O)[C@@]1(C)CC[C@H](O)[C@@]2(C)CO is Euscaphic acid B. It has the role of metabolite . It is also related to or classified as triterpenoid  .
The molecule [NH3+][C@@H]1C[C@H]([NH3+])[C@@H](O[C@H]2O[C@H](C=O)[C@@H](O)[C@H](O)[C@H]2[NH3+])[C@H](O)[C@H]1O [NH3+][C@@H]1C[C@H]([NH3+])[C@@H](O[C@H]2O[C@H](C=O)[C@@H](O)[C@H](O)[C@H]2[NH3+])[C@H](O)[C@H]1O is an ammonium ion resulting from the protonation of all three amino groups of 6'-oxoparomamine. The major species at pH 7.3. It is a conjugate acid of 6'-oxoparomamine . It is also related to or classified as ammonium ion derivative .
The molecule CC(C)[C@@H](C(=O)NCC(=O)O)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@@H]3CCCN3 is a tetrapeptide composed of L-proline, L-tryptophan, L-valine, and glycine joined by peptide linkages. It has a role as a metabolite. It derives from a L-proline, a L-tryptophan, a L-valine and a glycine.
The molecule CCCCCCCCCCCCCCCCCC/C=C\\CCCCCCCC/C=C\\CCCCCCCCCCCCCCCCCCC[C@H]([C@@H](CCCCCCCC)C(=O)OC[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O is a monosaccharide derivative that is the 6-O-(2R,3R,23Z,33Z)-3-hydroxy-2-octyldopentaconta-23,33-dienoyl derivative of alpha-L-idopyranose It has a role as an epitope. It derives from an alpha-L-idopyranose and a (2R,3R,23Z,33Z)-3-hydroxy-2-octyldopentaconta-23,33-dienoic acid.
The molecule OCC(=O)[C@H](O)[C@H](O)COP(O)(O)=O OCC(=O)[C@H](O)[C@H](O)COP(O)(O)=O is the D-enantiomer of ribulose 5-phosphate that is one of the end-products of the pentose phosphate pathway. It has the role of mouse metabolite . Its functional parent is D-ribulose . It is a conjugate acid of D-ribulose 5-phosphate(2-) . It is also related to or classified as ribulose 5-phosphate .
The molecule CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCC(C)C)O)O is an N-acyl-15-methylhexadecasphing-4-enine-1-phosphocholine in which the acyl group has 28 carbons and 0 double bonds and is 2-hydroxylated. It derives from a 15-methylhexadecasphing-4-enine.
The molecule [H][C@]12CC[C@@](C)(O)[C@]1([H])[C@]1([H])[C@]([H])(CCC2=C)C1(C)C [H][C@]12CC[C@@](C)(O)[C@]1([H])[C@]1([H])[C@]([H])(CCC2=C)C1(C)C is ent-spathulenol. It has the role of metabolite . It is also related to or classified as sesquiterpenoid .
The molecule C/C(=C\CC\C(\C)=C\C[C@]12C(C=C([C@H]([C@H]1O2)O)C)=O)/CCC=C(C)C C/C(=C\CC\C(\C)=C\C[C@]12C(C=C([C@H]([C@H]1O2)O)C)=O)/CCC=C(C)C is A class I yanuthone that is 5,6-epoxy-4-hydroxy-3-methylcyclohex-2-en-1-one which is substituted at position 6 by an (E,E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl group (the R,R,R stereoisomer). It has the role of Aspergillus metabolite .  It is also related to or classified as secondary alcohol  . It is also related to or classified as class I yanuthone .
The molecule N[C@H](Cc1c[nH]c2ccccc12)C(O)=O N[C@H](Cc1c[nH]c2ccccc12)C(O)=O is the D-enantiomer of tryptophan. It has the role of bacterial metabolite . It is a conjugate acid of D-tryptophanate . It is also related to or classified as D-alpha-amino acid  . It is also related to or classified as tryptophan  .
The molecule [H][C@@]12CC[C@]3(C)[C@]([H])(C=C[C@]45C[C@]34CC[C@]3(CC[C@@H](C)[C@@](C)(O)[C@@]53[H])C(O)=O)[C@@]1(C)CC[C@H](O)C2(C)C [H][C@@]12CC[C@]3(C)[C@]([H])(C=C[C@]45C[C@]34CC[C@]3(CC[C@@H](C)[C@@](C)(O)[C@@]53[H])C(O)=O)[C@@]1(C)CC[C@H](O)C2(C)C is Euscaphic acid A, (rel)-. It has the role of metabolite . It is also related to or classified as triterpenoid  .
The molecule [NH3+][C@@H]1C[C@H]([NH3+])[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2[NH3+])[C@H](O)[C@H]1O [NH3+][C@@H]1C[C@H]([NH3+])[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2[NH3+])[C@H](O)[C@H]1O is an ammonium ion resulting from the protonation of all three amino groups of paromamine. The major species at pH 7.3. It is a conjugate acid of paromamine . It is also related to or classified as ammonium ion derivative .
The molecule C[C@H]1[C@@H](C[C@H]([C@@H](O1)O[C@H](C)CCCCCCC(=O)O)O)OC(=O)C2=CC=C(C=C2)O is a 4-O-(p-hydroxybenzoyl)ascaroside derived from (8R)-8-hydroxynonanoic acid. It is a metabolite of the nematode Caenorhabditis elegans. It has a role as a Caenorhabditis elegans metabolite. It is a 4-O-(p-hydroxybenzoyl)ascaroside, an (omega-1)-hydroxy fatty acid ascaroside and a monocarboxylic acid. It derives from an ascr#10 and an (8R)-8-hydroxynonanoic acid.
The molecule C[C@@]1(CC[C@H]2[C@H]([C@H]1[N+]#[C-])C3=C(NC4=CC=CC(=C43)C2(C)C)C(C)(C)C=C)C=C is an ambiguine which is a (6aS,9R,10R,10aS)-9-ethenyl-10-isocyano-6,6,9-trimethyl-1-(2-methylbut-3-en-2-yl) substituted derivative of 2,6,6a,7,8,9,10,10a-octahydronaphtho[1,2,3-cd]indole. An antimicrobial agent isolated from the cyanobacterium strain, Fischerella. It has a role as an antibacterial agent, an antifungal agent and a bacterial metabolite. It is an isocyanide, an organic heterotetracyclic compound and an ambiguine.
The molecule C/C/1=C\\CC/C(=C\\CC/C(=C/[C@H]2[C@@H](CC1)C(=C)C(=O)O2)/C)/C(=O)O is a cembrane diterpenoid isolated from Lobophytum hedleyi and Lobophytum. It exhibits anti-HIV-1 activity. It has a role as an anti-HIV-1 agent and a coral metabolite. It is a gamma-lactone, a monocarboxylic acid and a cembrane diterpenoid.
The molecule COC(=O)[C@@]12Cc3occc3C(=O)[C@]1(C)CC[C@H]2C COC(=O)[C@@]12Cc3occc3C(=O)[C@]1(C)CC[C@H]2C is norpinguisone methyl ester. It has the role of metabolite . It is also related to or classified as benzofurans .