anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C=1(C=CC(OS([O-])(=O)=O)=CC1)C=C C=1(C=CC(OS([O-])(=O)=O)=CC1)C=C is A phenyl sulfate oxoanion that is the conjugate base of 4-vinylphenol sulfate, obtained by deprotonation of the sulfate group; major species at pH 7.3. It has the role of human xenobiotic metabolite . It is also related to or classified as phenyl sulfate oxoanion  .
The molecule CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)[C@@H](CCCCCCCCCCCCCCC)O is a ceramide phosphoinositol compound having a tetracosanoyl group attached to the ceramide nitrogen. It has a role as a Saccharomyces cerevisiae metabolite. It derives from a N-tetracosanoylsphinganine. It is a conjugate acid of an Ins-1-P-Cer(d18:0/24:0)(1-).
The molecule CC(=CCC/C(=C/CC1=C(C=CC(=C1)C(=O)O)[O-])/C)C is a hydroxybenzoate having the hydroxy group at the 4-position together with a geranyl group at the 3-position; major species at pH 7.3. It is a conjugate base of a 3-geranyl-4-hydroxybenzoic acid.
The molecule C1(=CNC2=C1C=CC=C2)\C=C\C(=O)[O-] C1(=CNC2=C1C=CC=C2)\C=C\C(=O)[O-] is A monocarboxylic acid anion that is the conjugate base of 3-indoleacrylic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as monocarboxylic acid anion  .
The molecule C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)SCF)O)C)O)F)C)F is a trifluorinated corticosteroid used in the form of its propionate ester for treatment of allergic rhinitis. It has a role as an anti-allergic agent and an anti-asthmatic drug. It is an 11beta-hydroxy steroid, a 3-oxo-Delta(4) steroid, a corticosteroid, a fluorinated steroid, a 17alpha-hydroxy steroid and a thioester. It derives from a hydride of an androstane.
The molecule O=C1NC2=C(C(=O)C[C@H]3[C@]1([C@@]4([C@](O)(C5=CC(=O)[C@@H](C(O)(C)C)O[C@H]5CC4)CC3)C)C)C=C6CC7C(C6=C2)=CC(OC7(C)C)(C)C O=C1NC2=C(C(=O)C[C@H]3[C@]1([C@@]4([C@](O)(C5=CC(=O)[C@@H](C(O)(C)C)O[C@H]5CC4)CC3)C)C)C=C6CC7C(C6=C2)=CC(OC7(C)C)(C)C is Shearinine C. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule CC(=C)[C@H](CCC(C)=O)CC([O-])=O CC(=C)[C@H](CCC(C)=O)CC([O-])=O is an optically active form of 3-isopropenyl-6-oxoheptanoate having (3R)-configuration. It is also related to or classified as 3-isopropenyl-6-oxoheptanoate  .
The molecule C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC3=CC=CC4=CC=CC=C43 C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC3=CC=CC4=CC=CC=C43 is 1-[[(3R,9S,10R)-16-(dimethylamino)-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-9-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule OC(C)CCCCCCCCCCCCCCCCCCC(=O)O OC(C)CCCCCCCCCCCCCCCCCCC(=O)O is an (omega-1)-hydroxy fatty acid that is henicosanoic acid in which one of the hydrogens at position 20 has been replaced by a hydroxy group. Its functional parent is henicosanoic acid . It is a conjugate acid of 20-hydroxyhenicosanoate . It is also related to or classified as long-chain fatty acid  .   It is also related to or classified as secondary alcohol  . It is also related to or classified as straight-chain saturated fatty acid , (omega-1)-hydroxy fatty acid .
The molecule COC1=CC(=CC2=C1O[C@H]([C@@H]2CO)C3=CC(=C(C(=C3)OC)OC)OC)/C=C/CO is a neolignan isolated from the stems of Sinocalamus affinis. It has a role as a plant metabolite. It is a member of benzofurans, a neolignan, a primary alcohol and a member of methoxybenzenes.
The molecule C(=O)([C@@H](N)CC#C)O C(=O)([C@@H](N)CC#C)O is A non-proteinogenic L-alpha-amino acid that is L-alanine in which one of the methyl hydrogens has been replaced by an ethynyl group. It causes the irreversible inactivation of gamma-cystathionase (also known as cystathionine gamma-lyase) and is used as an affinity labeling reagent for gamma-cystathionase and other enzymes. It has the role of EC 2.5.1.48 (cystathionine gamma-synthase) inhibitor . It has the role of EC 1.4.3.2 (L-amino-acid oxidase) inhibitor . It has the role of EC 2.6.1.2 (alanine transaminase) inhibitor . It is also related to or classified as terminal acetylenic compound  . It is also related to or classified as non-proteinogenic L-alpha-amino acid .
The molecule O1C(CC(=O)C=2C1=C(C(OC)=C(C2O)CO)C)C3=CC=CC=C3 O1C(CC(=O)C=2C1=C(C(OC)=C(C2O)CO)C)C3=CC=CC=C3 is Leridol. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c2c(O)cc(O)c3c2oc(cc3=O)-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c2c(O)cc(O)c3c2oc(cc3=O)-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O is A disaccharide derivative that is the 2''-O-glucosyl derivative of vitexin. Its functional parent is vitexin . It is a conjugate acid of vitexin 2''-O-beta-D-glucoside(1-) . It is also related to or classified as C-glycosyl compound , disaccharide derivative .
The molecule CCC(C(=O)O)(C(=O)O)C(=O)O is a acid that is propane in which three carboxy groups are attached at the C-1 position. It is a conjugate acid of a 1,1,1-propanetricarboxylate.
The molecule CC(=O)NC(Cc1ccc(O)cc1)C(O)=O CC(=O)NC(Cc1ccc(O)cc1)C(O)=O is an N-acetyl-amino acid that is tyrosine with an amine hydrogen substituted by an acetyl group. It has the role of human urinary metabolite . Its functional parent is tyrosine .  It is also related to or classified as phenols  . It is also related to or classified as N-acetyl-amino acid , tyrosine derivative .
The molecule C[N+](C)(C)CC(CC(=O)[O-])OC(=O)CCCCCCCCCCCCCCC(=O)O is an O-acylcarnitine having 15-carboxypentadecanoyl as the acyl substituent. It has a role as a metabolite. It derives from a hexadecanedioic acid.
The molecule CC1=C(N(C(=C1)CC(=O)O)C)C(=O)C2=CC=C(C=C2)Cl is a member of pyrroles, a member of monochlorobenzenes, a monocarboxylic acid and an aromatic ketone. It has a role as a non-steroidal anti-inflammatory drug and a cardiovascular drug. It derives from an acetic acid.
The molecule BrC([C@H](O)C/C=C(/[C@@H](O)CBr)\C)(CCl)C BrC([C@H](O)C/C=C(/[C@@H](O)CBr)\C)(CCl)C is Plocamenol A. It is also related to or classified as alcohol  . It is also related to or classified as organobromine compound  .
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)NC(=O)C)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O)NC(=O)C)O)O)NC(=O)C)O is a branched amino nonasaccharide comprised of a linear trisaccharide chain of a beta-D-glucose residue and two N-acetyl-beta-D-glucosamine residues, all connected by beta-linkages, to the mannose residue of which are (1->3)- and (1->6)-linked two trisaccharide branches each comprised of a beta-D-galactose residue, an N-acetyl-beta-D-glucosamine residue and an alpha-D-mannose residue, these connected sequentially by (1->3) and (1->2) linkages, together with an alpha-L-fucose residue (1->6)-linked. It has a role as an epitope. It is a glucosamine oligosaccharide and an amino nonasaccharide.
The molecule [H]C([H])(C=O)[C@@]([H])(N)[C@]([H])(O)[C@]([H])(C)O [H]C([H])(C=O)[C@@]([H])(N)[C@]([H])(O)[C@]([H])(C)O is A trideoxyhexose carrying a single amino substituent at position 3 and deoxygenated at positions 2, 3 and 6. It is also related to or classified as amino monosaccharide , trideoxyhexose derivative .
The molecule C1=CC=NC(=C1)C(=NOC(=O)CC2=CC=C(C=C2)Cl)N C1=CC=NC(=C1)C(=NOC(=O)CC2=CC=C(C=C2)Cl)N is 2-(4-chlorophenyl)acetic acid [[amino(2-pyridinyl)methylidene]amino] ester. It is also related to or classified as organochlorine compound  .
The molecule P(OC[C@@H](CO/C=C\CCCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(=O)(OCCN)O P(OC[C@@H](CO/C=C\CCCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(=O)(OCCN)O is A 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine in which the alkenyl and acyl groups are specified asas (1Z)-octadecenyl and linoleoyl respectively. It has the role of mouse metabolite . Its functional parent is linoleic acid . It is also related to or classified as 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine  .
The molecule C(CCCCCCCCCCCCC(=O)[O-])CCCCCCCO C(CCCCCCCCCCCCC(=O)[O-])CCCCCCCO is an omega-hydroxy fatty acid anion resulting from deprotonation of the carboxy group of 21-hydroxyhenicosanoic acid. The major species at pH 7.3. It is also related to or classified as omega-hydroxy-long-chain fatty acid anion  .
The molecule [C@@]12([C@]([C@]3(C(O[C@@](C1)([C@]3(C(O)(C)C)[H])[H])=O)[H])([C@@H]4[C@H]([C@@]25OC5)O4)O)C [C@@]12([C@]([C@]3(C(O[C@@](C1)([C@]3(C(O)(C)C)[H])[H])=O)[H])([C@@H]4[C@H]([C@@]25OC5)O4)O)C is A sesquiterpene lactone containing two epoxide groups and two tertiary hydroxy groups that has been isolated from the roots of Coriaria nepalensis. It has the role of plant metabolite .  It is also related to or classified as diol  . It is also related to or classified as tertiary alcohol  . It is also related to or classified as spiro-epoxide , bridged compound , sesquiterpene lactone , organic heterotetracyclic compound .
The molecule [C@@H]1([C@@H]([C@H](OC([C@@H]1O)OP(=O)(O)O)C(=O)[O-])O)O is a carbohydrate acid derivative anion arising from selective deprotonation of the carboxy function of D-glucuronic acid 1-phosphate. It has a role as a human metabolite. It is a carbohydrate acid derivative anion and a monocarboxylic acid anion. It derives from a D-glucuronate. It is a conjugate base of a D-glucuronic acid 1-phosphate.
The molecule [NH3+]C(C([O-])=O)C([O-])=O [NH3+]C(C([O-])=O)C([O-])=O is conjugate base of aminomalonic acid arising from deprotonation of the two carboxy groups and protonation of the amino group; major species at pH 7.3. It is also related to or classified as alpha-amino-acid anion , dicarboxylic acid anion .
The molecule C=1C=CC=C2NC=C(C12)CCCC(N[C@H](C(=O)O)CS)=O C=1C=CC=C2NC=C(C12)CCCC(N[C@H](C(=O)O)CS)=O is an N-acyl-L-alpha-amino acid resulting from the formal condensation of the carboxy group of 4-(indol-3-yl)butanoic acid with the amino group of L-cysteine. It is a conjugate acid of N-[4-(indol-3-yl)butanoyl]-L-cysteinate . It is also related to or classified as secondary carboxamide  .  It is also related to or classified as thiol  . It is also related to or classified as indoles , N-acyl-L-alpha-amino acid .
The molecule O=C1N[C@H](C(=O)N[C@@H]1CC(C)C)CCC(=O)NCCC2=CC=CC=C2 O=C1N[C@H](C(=O)N[C@@H]1CC(C)C)CCC(=O)NCCC2=CC=CC=C2 is 3-[(2S,5R)-5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]-N-(2-phenylethyl)propanamide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule N1(C([C@@](C2=CC=C(OC3=CC=CC=C3)C=C2)(C)OC1=O)=O)NC4=CC=CC=C4 N1(C([C@@](C2=CC=C(OC3=CC=CC=C3)C=C2)(C)OC1=O)=O)NC4=CC=CC=C4 is A  5-methyl-5-(4-phenoxyphenyl)-3-(phenylamino)-1,3-oxazolidine-2,4-dione that is the (active) (S)-enantiomer of famoxadone. It prevents spore germination and mycelial growth of sensitive fungi and is used in agriculture for the control of various fungal diseases. It has the role of quinone outside inhibitor . It has the role of fungicide . It has the role of agrochemical . It has the role of mitochondrial cytochrome-bc1 complex inhibitor . It is also related to or classified as 5-methyl-5-(4-phenoxyphenyl)-3-(phenylamino)-1,3-oxazolidine-2,4-dione  .
The molecule O.O.Cl.NC(=N)NC(=O)c1nc(Cl)c(N)nc1N O.O.Cl.NC(=N)NC(=O)c1nc(Cl)c(N)nc1N is A hydrate that is the dihydrate of amiloride hydrochloride. It has the role of diuretic . It has the role of sodium channel blocker . It is also related to or classified as hydrate .
The molecule C1C(=NC2=C(N1)N=C(NC2=O)N)[C@@H]([C@@H](COP(=O)([O-])[O-])O)O is dianion of 7,8-dihydroneopterin 3'-phosphate arising from deprotonation of phosphate functions. It has a role as a Saccharomyces cerevisiae metabolite. It is a conjugate base of a 7,8-dihydroneopterin 3'-phosphate.
The molecule CC(C)[C@H]1OC(=O)C2=CCCN2C(=O)c2coc(CC(=O)C[C@H](O)\C=C(/C)\C=C\CNC(=O)\C=C\[C@H]1C)n2 CC(C)[C@H]1OC(=O)C2=CCCN2C(=O)c2coc(CC(=O)C[C@H](O)\C=C(/C)\C=C\CNC(=O)\C=C\[C@H]1C)n2 is A macrolide that is (together with pristinamycin IA) a component of pristinamycin, an oral streptogramin antibiotic produced by Streptomyces pristinaespiralis. Pristinamycin exhibits bactericidal activity against Gram positive organisms including methicillin-resistant Staphylococcus aureus. It has the role of Mycoplasma genitalium metabolite . It has the role of antibacterial drug . It is also related to or classified as secondary carboxamide  . It is also related to or classified as tertiary carboxamide  . It is also related to or classified as pyrroline  . It is also related to or classified as lactam  .  It is also related to or classified as secondary alcohol  .   It is also related to or classified as enamide  . It is also related to or classified as macrolide  . It is also related to or classified as macrolide antibiotic , cyclic ketone , 1,3-oxazoles .
The molecule CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)C is a 1,2-diacyl-sn-glycero-3-phosphocholine in which the two acyl substituents at positions 1 and 2 are specified as stearoyl and acetyl respectively. It derives from an acetic acid and an octadecanoic acid.
The molecule CC(=CCC1=C(C=C(C2=C1O[C@@H](CC2=O)C3=C(C=C4C(=C3)C=CC(O4)(C)C)O)O)OC)C is a dihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5 and 2', a methoxy group at position 7, a prenyl group at position 8 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. It is a dihydroxyflavanone and a monomethoxyflavanone.
The molecule C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)OP(=O)([O-])[O-] is an organophosphate oxoanion that is a trianion arising from deprotonation of phosphate and carboxylic acid functions of 6-phospho-D-gluconic acid. It has a role as a fundamental metabolite. It is a carbohydrate acid derivative anion, a monocarboxylic acid anion and an organophosphate oxoanion. It is a conjugate base of a 6-phospho-D-gluconic acid and a 6-phospho-D-gluconate.
The molecule O=C1C=C[C@@H]2OC[C@H]1O2 O=C1C=C[C@@H]2OC[C@H]1O2 is isolevoglucosenone. It is also related to or classified as anhydrohexose  . It is also related to or classified as deoxyketohexose  .
The molecule [O-][N+](=O)C(Cl)(Cl)Cl [O-][N+](=O)C(Cl)(Cl)Cl is A C-nitro compound that is nitromethane in which all three hydrogens are replaced by chlorines. It is a severe irritant, and can cause immediate, severe inflammation of the eyes, nose and throat, and significant injuries to the upper and lower respiratory tract. Formerly stockpiled as a chemical warfare agent, it has been widely used in the US as a soil fumigant, particularly for strawberry crops. It is not approved for use within the European Union. It has the role of nematicide . It has the role of fumigant insecticide . It has the role of antifungal agrochemical .  It is also related to or classified as organochlorine compound  . It is also related to or classified as C-nitro compound , one-carbon compound .
The molecule C(CCCCCCCCCCCCCCC([O-])=O)CCC(C)O C(CCCCCCCCCCCCCCC([O-])=O)CCC(C)O is an (omega-1)-hydroxy fatty acid anion resulting from the deprotonation of the carboxy group of 19-hydroxyicosanoic acid. The major species at pH 7.3.  It is also related to or classified as (omega-1)-hydroxy fatty acid anion  . It is also related to or classified as hydroxy fatty acid anion 20:0 .
The molecule COc1cc(CCC([O-])=O)cc(OC)c1OC COc1cc(CCC([O-])=O)cc(OC)c1OC is A monocarboxylic acid anion that is the conjugate base of 3,4,5-trimethoxydihydrocinnamic acid, formed by proton loss from the carboxy group. Its functional parent is propionate . It is also related to or classified as monocarboxylic acid anion  .
The molecule Nc1nc2=NC(=O)N=c2c(=O)[nH]1 Nc1nc2=NC(=O)N=c2c(=O)[nH]1 is an oxopurine that is guanine which is substituted by an oxo group at position 8. Its functional parent is guanine . It is also related to or classified as 2-aminopurines  . It is also related to or classified as oxopurine .
The molecule OC(=O)[C@@H](N)C([2H])([2H])[2H] OC(=O)[C@@H](N)C([2H])([2H])[2H] is L-Alanine-d3. Its functional parent is L-alanine . It is also related to or classified as deuterated compound .
The molecule C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)OC)[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)NC3=CC=C(C=C3)OC)[C@H](C)CO)C)CNC is 1-[(3R,9R,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]-3-(4-methoxyphenyl)urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O=C(OCC1=C(OC)C(=C(OCC=C(C)C)C=C1CO)C)C O=C(OCC1=C(OC)C(=C(OCC=C(C)C)C=C1CO)C)C is 8-zinniol acetate. Its functional parent is benzyl alcohol . It is also related to or classified as carboxylic ester  .
The molecule CC(C)CCCCCCCCCCC(O)=O CC(C)CCCCCCCCCCC(O)=O is A branched-chain saturated fatty acid consisting of tridecanoic acid carrying a 12-methyl group. It is a conjugate acid of isomyristate . It is also related to or classified as long-chain fatty acid  . It is also related to or classified as branched-chain saturated fatty acid .
The molecule C(C(=O)O)C(CC(=O)O)(C(=O)O)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.[Fe] is the complex formed between iron(III) and citrate. It has a role as an Escherichia coli metabolite. It derives from a citric acid.
The molecule [H]C(=O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)CO [H]C(=O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)CO is aldehydo-L-galactose. It is also related to or classified as L-galactose  . It is also related to or classified as aldehydo-galactose  .
The molecule N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)C(=O)NCC(O)=O)C(O)=O N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)C(=O)NCC(O)=O)C(O)=O is glutathione disulfide. It has the role of mouse metabolite . It has the role of Escherichia coli metabolite . It is a conjugate acid of glutathione disulfide(2-) .  It is also related to or classified as organic disulfide  . It is also related to or classified as glutathione derivative .
The molecule [H][C@@]12C[C@H](CC)[C@@H](CC)CN1CCc1c2[nH]c2ccccc12 [H][C@@]12C[C@H](CC)[C@@H](CC)CN1CCc1c2[nH]c2ccccc12 is corynan. It is also related to or classified as indole alkaloid fundamental parent , indole alkaloid .
The molecule NC(CC(=O)O)C NC(CC(=O)O)C is A beta-amino acid that is butyric acid which is substituted by an amino group at position 3. It has the role of metabolite . Its functional parent is butyric acid . It is a conjugate acid of 3-aminobutyrate . It is also related to or classified as monocarboxylic acid , beta-amino acid .
The molecule O=C(OCCCC/C=C/CCC(=O)O)/C=C(/C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@H]([C@@H](O)C)C)[C@H]([C@H]1O)O)\C O=C(OCCCC/C=C/CCC(=O)O)/C=C(/C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@H]([C@@H](O)C)C)[C@H]([C@H]1O)O)\C is Pseudomonic acid D. It is also related to or classified as medium-chain fatty acid  .
The molecule CC(=O)O.C(C(CO)(CO)N)O is an acetate salt resulting from the reaction of equimolar amounts of tris and acetic acid. It has a role as a buffer. It contains a member of Htris.
The molecule C(CCCCCCCCCCCCCCC(O)=O)CCC(C)O C(CCCCCCCCCCCCCCC(O)=O)CCC(C)O is an (omega-1)-hydroxy fatty acid that is icosanoic acid (arachidic acid) in which a hydrogen at position 19 has been replaced by a hydroxy group. It is a conjugate acid of 19-hydroxyicosanoate . It is also related to or classified as long-chain fatty acid  .   It is also related to or classified as secondary alcohol  . It is also related to or classified as straight-chain saturated fatty acid , (omega-1)-hydroxy fatty acid .
The molecule [H]\C(C)=C1/CN[C@@]2([H])CC3=C(NC4=CC=CC=C34)C(=O)C[C@]1([H])[C@]2([H])C(=O)OC [H]\C(C)=C1/CN[C@@]2([H])CC3=C(NC4=CC=CC=C34)C(=O)C[C@]1([H])[C@]2([H])C(=O)OC is perivine. It has the role of plant metabolite . It is also related to or classified as methyl ester  . It is also related to or classified as organic heterotetracyclic compound , alkaloid ester , indole alkaloid , cyclic ketone .
The molecule C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)NC=O)C(=O)N is a 1-(phosphoribosyl)imidazolecarboxamide. It has a role as an Escherichia coli metabolite and a mouse metabolite. It is a conjugate acid of a 5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-).
The molecule O([C@@H]1C(O)[C@@H](OC([C@@H]1O)C)OCC2O[C@@H](OC3=C(OC=4C(C3=O)=C(O)C=C(O)C4)C5=CC=C(O)C=C5)C(O)C(O)[C@H]2O)[C@@H]6OC([C@H](O)[C@H](O)C6O)C O([C@@H]1C(O)[C@@H](OC([C@@H]1O)C)OCC2O[C@@H](OC3=C(OC=4C(C3=O)=C(O)C=C(O)C4)C5=CC=C(O)C=C5)C(O)C(O)[C@H]2O)[C@@H]6OC([C@H](O)[C@H](O)C6O)C is Kaempferol 3-rhamninoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1OC[C@H](N)C(O)=O CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1OC[C@H](N)C(O)=O is A non-proteinogenic L-amino acid that is N-acetyl-alpha-D-galactosamine linked via an alpha glycosidic bond to the O at position 3 of L-serine. It has the role of tumour antigen . It is also related to or classified as non-proteinogenic L-alpha-amino acid , L-serine derivative .
The molecule C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@@H](C)CO)C)CN(C)C(=O)C3CCCCC3 C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@@H](C)CO)C)CN(C)C(=O)C3CCCCC3 is N-[[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@H](CC[C@H]([C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@@]1(CO)O)O)O)N)O)O)O)[C@H]2CC[C@]3([C@H]2CC[C@@]4([C@@H]3CC[C@H]5[C@]4(CC[C@@H]6[C@@]5(CCCC6(C)C)C)C)C)C is a hopanoid that is isolated from Burkholderia cenocepacia and Methylobacterium organophilum. It has a role as a bacterial metabolite. It is a hopanoid and an amino cyclitol. It derives from a bacteriohopane-32,33,34,35-tetrol.
The molecule CC(=CCC1=C(C(=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C is a homoflavonoid glycoside that is 5'-prenylophioglonol attached to beta-D-glucopyranosyl residues at positions 7 and 4' respectively via glycosidic linkages. It has been isolated from the whole plants of Ophioglossum pedunculosum. It has a role as a metabolite and a plant metabolite. It is a beta-D-glucoside, a homoflavonoid glycoside and a hydroxy homoflavonoid. It derives from an ophioglonol.
The molecule [H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].OS(O)(=O)=O.[H][C@]12C=C[C@H](O)[C@@H]3Oc4c(O)ccc5C[C@H]1N(C)CC[C@@]23c45.[H][C@]12C=C[C@H](O)[C@@H]3Oc4c(O)ccc5C[C@H]1N(C)CC[C@@]23c45 [H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].OS(O)(=O)=O.[H][C@]12C=C[C@H](O)[C@@H]3Oc4c(O)ccc5C[C@H]1N(C)CC[C@@]23c45.[H][C@]12C=C[C@H](O)[C@@H]3Oc4c(O)ccc5C[C@H]1N(C)CC[C@@]23c45 is morphine sulfate pentahydrate. It is also related to or classified as hydrate , alkaloid sulfate salt .