anonymous041/ChEBI-Augmented huggingface dataset:
The molecule O1C(C1C(O)C=2C=3N(C4=C(C(=O)C3C(O)=CC2OC)C=CC(OC)=C4OC)C)(C)C O1C(C1C(O)C=2C=3N(C4=C(C(=O)C3C(O)=CC2OC)C=CC(OC)=C4OC)C)(C)C is 4-[(3,3-Dimethyloxiran-2-yl)(hydroxy)methyl]-1-hydroxy-3,5,6-trimethoxy-10-methyl-9,10-dihydroacridin-9-one. Its functional parent is acridone . It is also related to or classified as acridines .
The molecule C[C@@H](C(=O)[O-])[NH3+] is zwitterionic form of L-alanine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3. It is a tautomer of a L-alanine.
The molecule C[NH2+]CCCC(=O)c1ccc(O)nc1O C[NH2+]CCCC(=O)c1ccc(O)nc1O is an organic cation that is the conjugate acid of 2,6-dihydroxypseudooxynicotine, obtained by protonation of the secondary amino group; major species at pH 7.3. Its functional parent is pseudooxynicotinium(1+) . It is a conjugate acid of 2,6-dihydroxypseudooxynicotine . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule CC(C)C[C@@H]([NH3+])C(O)=O CC(C)C[C@@H]([NH3+])C(O)=O is the D-enantiomer of leucinium. It has the role of Saccharomyces cerevisiae metabolite . It has the role of bacterial metabolite . It is a conjugate acid of D-leucine . It is also related to or classified as leucinium  .
The molecule OC(=O)CCCCCC#CCC#CCC#CCC#CCCCCC OC(=O)CCCCCC#CCC#CCC#CCC#CCCCCC is 7,10,13,16-Docosatetraynoic acid. It is also related to or classified as very long-chain fatty acid  .
The molecule CS(C=1C=C(C=CC1C(C=2C=NOC2C3CC3)=O)C(F)(F)F)(=O)=O CS(C=1C=C(C=CC1C(C=2C=NOC2C3CC3)=O)C(F)(F)F)(=O)=O is A member of the class of isoxazoles that is 1,2-oxazole substituted by a 2-(methanesulfonyl)-4-(trifluoromethyl)benzoyl group and a cyclopropyl group at positions 4 and 5, respectively. It is a 4-hydroxyphenylpyruvate dioxygenase inhibitor which is used as a herbicide for weed control in maize and sugarcane. It has the role of proherbicide . It has the role of agrochemical . It has the role of EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor . It is also related to or classified as sulfone  .  It is also related to or classified as isoxazoles  . It is also related to or classified as cyclopropanes , aromatic ketone , (trifluoromethyl)benzenes .
The molecule C/C/1=C\\C[C@H]([C@]2([C@@H](O2)[C@@H]3[C@@H]([C@@H](C[C@]4([C@@H](O4)C[C@@H]1OC(=O)C)C)OC(=O)C)C(=C)C(=O)O3)C)OC(=O)C is a cembrane diterpenoid with cytotoxic activity isolated from the soft coral Lobophytum michaelae. It has a role as an antineoplastic agent and a coral metabolite. It is a gamma-lactone, an acetate ester, a cembrane diterpenoid, an epoxide and a macrocycle.
The molecule O(C1=CC=2N(C=3C(C(=O)C2C(O)=C1)=CC=CC3)C)C O(C1=CC=2N(C=3C(C(=O)C2C(O)=C1)=CC=CC3)C)C is 1-Hydroxy-3-methoxy-10-methylacridone. Its functional parent is acridone . It is also related to or classified as acridines .
The molecule CC(=O)N[C@H]1[C@@H](OC[C@H](N)C(O)=O)O[C@H](CO)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O CC(=O)N[C@H]1[C@@H](OC[C@H](N)C(O)=O)O[C@H](CO)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O is A serine derivative that is L-serine having a 3-O-beta-D-galactosyl-N-acetyl-alpha-D-galactosaminyl moiety attached to the side-chain oxygen. It is also related to or classified as O-glycosyl-L-serine  . It is also related to or classified as non-proteinogenic L-alpha-amino acid .
The molecule O[C@@H]1[C@@H](Oc2cc([O-])cc(O)c2C1=O)c1ccc(O)c(O)c1 O[C@@H]1[C@@H](Oc2cc([O-])cc(O)c2C1=O)c1ccc(O)c(O)c1 is the conjugate base of (+)-epitaxifolin arising from selective deprotonation of the 7-OH group; major species at pH 7.3. It is also related to or classified as flavonoid oxoanion .
The molecule C([C@H](CCCC[NH3+])[NH3+])(=O)OC[C@@H](COP(OC[C@H](OC(CCCCCCCCCCC(CC)C)=O)COC(CCCCCCCCCCCCC(CC)C)=O)(=O)[O-])O C([C@H](CCCC[NH3+])[NH3+])(=O)OC[C@@H](COP(OC[C@H](OC(CCCCCCCCCCC(CC)C)=O)COC(CCCCCCCCCCCCC(CC)C)=O)(=O)[O-])O is A 1,2-diacyl-sn-glycero-3-phospho-1'-(3'-O-L-lysyl)-sn-glycerol(1+) in which the phosphatidyl acyl groups at positions 1 and 2 are specified as 14-methyl-hexadecanoyl and 12-methyl-tetradecanoyl respectively. It is also related to or classified as 1,2-diacyl-sn-glycero-3-phospho-1'-(3'-O-L-lysyl)-sn-glycerol(1+)  .
The molecule C[C@@H](C=O)C([O-])=O C[C@@H](C=O)C([O-])=O is 2-Methyl-3-oxopropanoate with S configuration at the chiral centre. It is also related to or classified as 2-methyl-3-oxopropanoate  .
The molecule O(C(=O)CCCC1=CC=CC=C1)C O(C(=O)CCCC1=CC=CC=C1)C is Methyl 4-phenylbutanoate. It is also related to or classified as fatty acid methyl ester  .
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H]([C@@H]([C@H](O[C@@H]2O)CO)O)O)CO)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O is an amino tetrasaccharide comprising alpha-D-galactose, beta-D-galactose, N-acetyl-beta-D-glucosamine and (at the reducing end) alpha-D-mannose residues linked sequentially (1->3), (1->3) and (1->2). It is a glucosamine oligosaccharide and an amino tetrasaccharide.
The molecule C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3([C@@H](C[C@@]2(C[C@@H](C1)OS([O-])(=O)=O)[H])O)[H])(CC[C@@]4([C@@H](CCC(NCCS(=O)(=O)[O-])=O)C)[H])[H])C)[H])C C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3([C@@H](C[C@@]2(C[C@@H](C1)OS([O-])(=O)=O)[H])O)[H])(CC[C@@]4([C@@H](CCC(NCCS(=O)(=O)[O-])=O)C)[H])[H])C)[H])C is taurochenodeoxycholate 3-sulfate. It is also related to or classified as bile acid anion , steroid sulfate oxoanion .
The molecule O1C=2C(=C(O)C(OC)=C(OCC=C(C)C)C2)C(=O)C(OC)=C1C3=CC(OC)=C(O)C=C3 O1C=2C(=C(O)C(OC)=C(OCC=C(C)C)C2)C(=O)C(OC)=C1C3=CC(OC)=C(O)C=C3 is 5,4'-Dihydroxy-3,6,3'-trimethoxy-7-prenyloxyflavone. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule O=CCC[NH2+]CCCC[NH2+]CCC=O O=CCC[NH2+]CCCC[NH2+]CCC=O is major microspecies at pH 7.3. Its functional parent is spermine(4+) . It is a conjugate acid of Spermine dialdehyde . It is also related to or classified as aldehyde  .
The molecule [4He] [4He] is the stable isotope of helium with relative atomic mass 4.002603. The most abundant (99.99 atom percent) isotope of naturally occurring helium. It is also related to or classified as helium atom  .
The molecule CC(C=O)C([O-])=O CC(C=O)C([O-])=O is the conjugate base of 2-methyl-3-oxopropanoic acid; major species at pH 7.3. It has the role of human metabolite . It is also related to or classified as 3-oxo monocarboxylic acid anion  .
The molecule CNCCCC(=O)c1cccnc1 CNCCCC(=O)c1cccnc1 is an aminoacylpyridine that is pyridine substituted at position 3 by a 4-(methylamino)butanoyl group. It is also related to or classified as pyridine alkaloid , aminoacylpyridine .
The molecule C1C2=C(C=CC(=C2)O)OC1=O is a member of the class of 1-benzofurans that is 1-benzofuran-2(3H)-one substituted by a hydroxy group at position 5. It has a role as an antifungal agent and a fungal metabolite. It is a member of 1-benzofurans and an aromatic alcohol.
The molecule CCCCCCCCCCCC(O)CC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@@H]1NC(C)=O CCCCCCCCCCCC(O)CC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@@H]1NC(C)=O is A nucleotide-sugar oxoanion obtained by deprotonation of the diphosphate OH groups of UDP-3-O-(3-hydroxytetradecanoyl)-N-acetyl-beta-glucosamine. It is also related to or classified as nucleotide-sugar oxoanion .
The molecule C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(C)=O)[C@H](O)O[C@H](CO)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(C)=O)[C@H](O)O[C@H](CO)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O is an alpha-L-Fucp-(1->3)-[beta-D-Galp-(1->4)]-D-GlcpNAc where the glucosamine at the reducing end has beta-configuration at its anomeric centre. Commonly known as Lewis x trisaccharide or Le(x). It has the role of epitope . It is also related to or classified as alpha-L-Fucp-(1->3)-[beta-D-Galp-(1->4)]-D-GlcpNAc  . It is also related to or classified as glucosamine oligosaccharide , amino trisaccharide .
The molecule O[C@@H]1[C@@H](Oc2cc(O)cc(O)c2C1=O)c1ccc(O)c(O)c1 O[C@@H]1[C@@H](Oc2cc(O)cc(O)c2C1=O)c1ccc(O)c(O)c1 is A taxifolin that has (2S,3R)-configuration. It has the role of metabolite . It is a conjugate acid of (+)-epitaxifolin(1-) . It is also related to or classified as taxifolin  .
The molecule C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)CO)COP(=O)(O)OP(=O)(O)O)O is a pyrimidine 2'-deoxyribonucleoside 5'-diphosphate that is 2'-deoxycytidine 5'-diphosphate (CDP) substituted by a hydroxymethyl group at position 5. It derives from a CDP.
The molecule C1=C(C=C(C(=C1O)O)O)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O is a hexahydroxyflavanone that is the 2,3-dihydro derivative of myricetin. It is a hexahydroxyflavanone, a 3',5'-dihydroxyflavanone, a secondary alpha-hydroxy ketone, a member of 4'-hydroxyflavanones and a member of dihydroflavonols. It derives from a myricetin.
The molecule [C@H](C([O-])=O)(C=O)C [C@H](C([O-])=O)(C=O)C is 2-methyl-3-oxopropanoate with R configuration at the chiral centre; major microspecies at pH 7.3. It is also related to or classified as 2-methyl-3-oxopropanoate  .
The molecule C#[O+] C#[O+] is conjugate acid of carbon monoxide arising from protonation of the carbon; major species at pH 7.3. It is a conjugate acid of carbon monoxide . It is also related to or classified as organic cation .
The molecule N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C([O-])=O N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C([O-])=O is A L-alpha-amino acid anion obtained by deprotonation of S-adenosyl-L-homocysteine. It has the role of fundamental metabolite . It is also related to or classified as L-alpha-amino acid anion  .
The molecule C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O[C@@H]3[C@H](O[C@H]([C@@H]3O)N4C=CC(=NC4=O)N)COP(=O)(O)O[C@@H]5[C@H](O[C@H]([C@@H]5O)N6C=CC(=NC6=O)N)COP(=O)(O)O[C@@H]7[C@H](O[C@H]([C@@H]7O)N8C=NC9=C(N=CN=C98)N)COP(=O)(O)O[C@@H]1[C@H](O[C@H]([C@@H]1O)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(O)O[C@@H]1[C@H](O[C@H]([C@@H]1O)N1C=NC2=C(N=CN=C21)N)COP(=O)(O)O[C@@H]1[C@H](O[C@H]([C@@H]1O)N1C=NC2=C1N=C(NC2=O)N)CO)O)O is an RNA fragment comprised of two guanosine, two adenosine and three cytidine residues connected by 3'->5' phosphodiester linkages in the sequence G-A-G-A-C-C-C.
The molecule FC(F)OC(F)C(F)(F)F FC(F)OC(F)C(F)(F)F is desflurane. It has the role of inhalation anaesthetic . Its functional parent is methoxyethane . It is also related to or classified as organofluorine compound  .
The molecule OC[C@H](O)[C@H](O)[C@@H](O)[C@H](O)C(O)=O OC[C@H](O)[C@H](O)[C@@H](O)[C@H](O)C(O)=O is A gluconic acid having L-configuration. It is also related to or classified as gluconic acid .
The molecule OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC([2H])([2H])[2H] OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC([2H])([2H])[2H] is Cerotic acid(d3). It is also related to or classified as very long-chain fatty acid  . It is also related to or classified as deuterated fatty acid .
The molecule OC(=O)C(NC)(C)C OC(=O)C(NC)(C)C is A non-proteinogenic alpha-amino acid that is isobutyric acid in which the alpha-hydrogen has been replaced by a methylamino group. It has the role of human urinary metabolite . Its functional parent is isobutyric acid . It is also related to or classified as alanine derivative , secondary amino compound , non-proteinogenic alpha-amino acid .
The molecule OCCCCCC(O)=O OCCCCCC(O)=O is an omega-hydroxy fatty acid comprising hexanoic acid having a hydroxy group at the 6-position. It has the role of bacterial xenobiotic metabolite . Its functional parent is hexanoic acid . It is a conjugate acid of 6-hydroxyhexanoate . It is also related to or classified as omega-hydroxy-medium-chain fatty acid  . It is also related to or classified as 6-hydroxy monocarboxylic acid , straight-chain fatty acid .
The molecule C[C@@H](CO)C([O-])=O C[C@@H](CO)C([O-])=O is the hydroxy fatty acid anion that is formed by loss of a proton from the carboxy group of (S)-3-hydroxyisobutyric acid. It is also related to or classified as hydroxy fatty acid anion .
The molecule O(C=1C(OC)=CC=CC1)C(=O)CC2=CC=CC=C2 O(C=1C(OC)=CC=CC1)C(=O)CC2=CC=CC=C2 is Guaicyl phenylacetate. It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .
The molecule C1=CC=C(C=C1)C(COC(=O)N)COC(=O)N is the bis(carbamate ester) of 2-phenylpropane-1,3-diol. An anticonvulsant, it is used in the treatment of epilepsy. It has a role as an anticonvulsant and a neuroprotective agent.
The molecule C=1N(C(N=C(C1C)N)=O)[C@@H]2O[C@@H]([C@H]([C@H]2O)O)COP(OP(O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)(=O)O)(=O)O C=1N(C(N=C(C1C)N)=O)[C@@H]2O[C@@H]([C@H]([C@H]2O)O)COP(OP(O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)(=O)O)(=O)O is A TDP-sugar having alpha-D-glucose as the sugar component. It is a conjugate acid of TDP-alpha-D-glucose(2-) . It is also related to or classified as TDP-sugar .
The molecule C=1(O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(O)=O)O)O)O)C=CC(=C(C1)OC)NC(C)=O C=1(O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(O)=O)O)O)O)C=CC(=C(C1)OC)NC(C)=O is A beta-D-glucosiduronic acid that is 2-methoxyacetaminophen in which the phenolic hydrogen is replaced by a beta-D-glucuronosyl group. It has the role of drug metabolite . Its functional parent is paracetamol . It is a conjugate acid of 2-methoxyacetaminophen glucuronide(1-) . It is also related to or classified as beta-D-glucosiduronic acid , acetamides , monomethoxybenzene .
The molecule [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(CCC(CCCCCC)O)=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(CCC(CCCCCC)O)=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O is major microspecies at pH 7.3. It is also related to or classified as medium-chain fatty acyl-CoA(4-)  .
The molecule C(\[C@H]([C@]1([C@H](/C=C/CCC[C@H](C)O)C[C@@H](C1)O)[H])O)=C/C(=O)O C(\[C@H]([C@]1([C@H](/C=C/CCC[C@H](C)O)C[C@@H](C1)O)[H])O)=C/C(=O)O is A semisynthetic derivative obtained by alkaline hydrolysis of the macrocyclic lactone ring of brefeldin A. Its functional parent is brefeldin A . It is also related to or classified as secondary allylic alcohol  . It is also related to or classified as triol , alicyclic compound , 4-hydroxy monocarboxylic acid , semisynthetic derivative , alpha,beta-unsaturated monocarboxylic acid .
The molecule [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(CCC(OP([O-])([O-])=O)CC)=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(CCC(OP([O-])([O-])=O)CC)=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O is major microspecies at pH 7.3. It is also related to or classified as medium-chain fatty acyl-CoA(4-)  .
The molecule N([O])(S(=O)(=O)[O-])S(=O)(=O)[O-].[K+].[K+] N([O])(S(=O)(=O)[O-])S(=O)(=O)[O-].[K+].[K+] is potassium nitrosodisulfonate. Its functional parent is organosulfonate oxoanion . It is also related to or classified as potassium salt , aminoxyls .
The molecule [C@H](C([O-])=O)(CO)C [C@H](C([O-])=O)(CO)C is the anion formed by loss of a proton from the carboxy group of (R)-3-hydroxyisobutyric acid; major microspecies at pH 7.3. It is also related to or classified as 3-hydroxyisobutyrate  .
The molecule CC(C)OC(=O)C=C(C)O CC(C)OC(=O)C=C(C)O is an isopropyl ester resulting from the formal condensation of the carboxy group of 3-hydroxybut-2-enoic acid with isopropanol. Its functional parent is propan-2-ol . Its functional parent is 3-hydroxybut-2-enoic acid . It is also related to or classified as isopropyl ester  .
The molecule C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=C(C=C4)S(=O)(=O)O)NC5=NC(=NC(=N5)NC6=CC(=CC=C6)S(=O)(=O)O)Cl)S(=O)(=O)O)N is anthraquinone carrying amino, sulfo and [3-({4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl}amino)-4-sulfophenyl]amino substituents at positions 1, 2 and 4 respectively. It has a role as a dye. It is a conjugate acid of a Reactive Blue 5(3-).
The molecule S(CC(C)C(O)=O)CC(N)C(O)=O S(CC(C)C(O)=O)CC(N)C(O)=O is (2R,2'S)-Isobuteine. It is also related to or classified as organic sulfide  . It is also related to or classified as cysteine derivative , dicarboxylic acid .
The molecule C1[C@@H]([C@H]([C@@H](O[C@]1(C(=O)O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)O)O)CO)CO)O)[C@@H]([C@@H](CO)O)O)O)O is a linear trisaccharide consisting of alpha-KDN, beta-D-galactose and D-glucosamine residues linked sequentially (2->3) and (1->4). It has a role as an epitope.
The molecule NC1=NC2=NC=C(N=C2C(=O)N1)[C@@H](O)[C@H](O)CO NC1=NC2=NC=C(N=C2C(=O)N1)[C@@H](O)[C@H](O)CO is A neopterin that has 1R,2R-configuration. It has the role of eukaryotic metabolite . It is also related to or classified as neopterin  .
The molecule [C@H]1(OP(=O)([O-])O[C@H]2OC[C@@H]([C@@H]([C@H]2O)O)[NH3+])[C@H](OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@@H](O[C@@H]1CO)OC[C@@H]3[C@H]([C@@H]([C@H]([C@H](O3)OP(=O)([O-])[O-])NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O [C@H]1(OP(=O)([O-])O[C@H]2OC[C@@H]([C@@H]([C@H]2O)O)[NH3+])[C@H](OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@@H](O[C@@H]1CO)OC[C@@H]3[C@H]([C@@H]([C@H]([C@H](O3)OP(=O)([O-])[O-])NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O is A beta-L-Ara4N-lipid A(2-) that is obtained from E. coli. Its functional parent is lipid A(4-) (E. coli) . It is also related to or classified as beta-L-Ara4N-lipid A(2-)  .
The molecule C(=C\CO)(\CCC=C(C)C)/C C(=C\CO)(\CCC=C(C)C)/C is the (2Z)-stereoisomer of 3,7-dimethylocta-2,6-dien-1-ol. It has been isolated from the essential oils from plants like lemon grass. It has the role of volatile oil component . It has the role of fragrance . It has the role of plant metabolite . It is also related to or classified as 3,7-dimethylocta-2,6-dien-1-ol  .
The molecule C1=CC=C2C(=C1)C(=O)C=C(C2=O)C(=O)[O-] is a dioxo monocarboxylic acid anion that is the conjugate base of 1,4-naphthoquinone-2-carboxylic acid, obtained by the deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a 1,4-naphthoquinone-2-carboxylic acid.
The molecule [H][C@]12CC[C@]3(C)[C@@H](O)CC[C@@]3([H])[C@]1([H])CCc1c(O)c(O)ccc21 [H][C@]12CC[C@]3(C)[C@@H](O)CC[C@@]3([H])[C@]1([H])CCc1c(O)c(O)ccc21 is A 4-hydroxy steroid that consists of 17beta-estradiol having an additional hydroxy group at position 4. It has the role of metabolite . Its functional parent is 17beta-estradiol . It is also related to or classified as 4-hydroxy steroid .
The molecule [He+] [He+] is helium(.1+). It is also related to or classified as monoatomic helium , inorganic radical cation .
The molecule [C@H]1(OP(=O)(O)O[C@H]2OC[C@@H]([C@@H]([C@H]2O)O)N)[C@H](OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@@H](O[C@@H]1CO)OC[C@@H]3[C@H]([C@@H]([C@H]([C@H](O3)OP(=O)(O)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O [C@H]1(OP(=O)(O)O[C@H]2OC[C@@H]([C@@H]([C@H]2O)O)N)[C@H](OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@@H](O[C@@H]1CO)OC[C@@H]3[C@H]([C@@H]([C@H]([C@H](O3)OP(=O)(O)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O is A beta-L-Ara4N-lipid A that is isolated from E. coli. It has the role of Escherichia coli metabolite . Its functional parent is lipid A (E. coli) . It is a conjugate acid of beta-L-Ara4N-lipid A(2-) (E. coli) . It is also related to or classified as beta-L-Ara4N-lipid A  . It is also related to or classified as dodecanoate ester  . It is also related to or classified as tetradecanoate ester  .
The molecule C[C@H]1[C@@H](C[C@H]([C@@H](O1)OCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O)O)O)O)O is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#15. It derives from an oscr#15. It is a conjugate acid of an oscr#15-CoA(4-).
The molecule OC(=O)CCCC#CCC#CCC#CCC#CCCCCCCC OC(=O)CCCC#CCC#CCC#CCC#CCCCCCCC is 5,8,11,14-Docosatetraynoic acid. It is also related to or classified as very long-chain fatty acid  .
The molecule C(=C\COC(C)=O)(\CCC=C(C)C)/C C(=C\COC(C)=O)(\CCC=C(C)C)/C is an acetate ester resulting from the formal condensation of the hydroxy group of nerol with the carboxy group of acetic acid. It has the role of volatile oil component . It has the role of fragrance . It has the role of plant metabolite . Its functional parent is nerol .  It is also related to or classified as acetate ester  . It is also related to or classified as monoterpenoid , olefinic compound .
The molecule [H][C@]12CCC(C)=C[C@@](CC[C@H]1C)(C(C)C)[C@@H]2O [H][C@]12CCC(C)=C[C@@](CC[C@H]1C)(C(C)C)[C@@H]2O is koidzumiol. It has the role of plant metabolite . It is also related to or classified as tertiary allylic alcohol  . It is also related to or classified as sesquiterpenoid , carbobicyclic compound .
The molecule C(CC=O)CC(C(=O)O)N is an alpha-amino acid consisting of lysine having an oxo group in place of the side-chain amino group. It is a tautomer of an allysine zwitterion.
The molecule O=CC(CCCCCCCCC)C O=CC(CCCCCCCCC)C is 2-methyl-Undecanal. It is also related to or classified as saturated fatty aldehyde  . It is also related to or classified as 2-methyl-branched fatty aldehyde  .
The molecule C1[C@@]2([C@]3(CC([C@]4([C@]([C@@]3([C@H](C[C@@]2(C[C@@H](C1)O)[H])O)[H])(CC[C@]4([H])[C@@H](CCC(O)=O)C)[H])C)=O)[H])C C1[C@@]2([C@]3(CC([C@]4([C@]([C@@]3([C@H](C[C@@]2(C[C@@H](C1)O)[H])O)[H])(CC[C@]4([H])[C@@H](CCC(O)=O)C)[H])C)=O)[H])C is an oxo-5beta-cholanic acid that is ursodeoxycholic acid carrying an additional oxo substituent at position 12. Its functional parent is ursodeoxycholic acid . It is a conjugate acid of 3alpha,7beta-dihydroxy-12-oxo-5beta-cholanate .  It is also related to or classified as 7beta-hydroxy steroid  . It is also related to or classified as 3alpha-hydroxy steroid  . It is also related to or classified as oxo-5beta-cholanic acid , 12-oxo steroid .
The molecule S1C(NC(SC1C)C)C S1C(NC(SC1C)C)C is Thialdine. It is also related to or classified as organic heteromonocyclic compound , organonitrogen heterocyclic compound , organosulfur heterocyclic compound .
The molecule O(C(=O)C(C)C)C1=CC=C(C=C1)C O(C(=O)C(C)C)C1=CC=C(C=C1)C is p-Tolyl isobutyrate. It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .
The molecule C(CCN)C[C@@H](CC(=O)O)N is a diamino acid that is heptanoic acid substituted by amino groups at positions 3 and 7 respectively (the 3S stereoisomer). It is a beta-amino acid and a diamino acid. It derives from a heptanoic acid.
The molecule [C@H]1(OP(=O)([O-])[O-])[C@H](OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@@H](O[C@@H]1CO)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OP(=O)([O-])[O-])NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O [C@H]1(OP(=O)([O-])[O-])[C@H](OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@@H](O[C@@H]1CO)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OP(=O)([O-])[O-])NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O is A lipid A(4-) obtained by deprotonation of the four phosphate OH groups of the lipid A obtained from E. coli; major species at pH 7.3. It is also related to or classified as a lipid A(4-)  . It is also related to or classified as lipid A(4-)  .
The molecule CCCCCCCCCCC[C@H](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[C@@]3(C[C@H]([C@H]([C@H](O3)[C@@H](CO)O)O)O[C@@]4(C[C@H]([C@H]([C@H](O4)[C@@H](CO[C@@]5(C[C@H]([C@H]([C@H](O5)[C@@H](CO)O)O)O)C(=O)[O-])O)O)O)C(=O)[O-])C(=O)[O-])OP(=O)([O-])[O-])OC(=O)C[C@@H](CCCCCCCCCCC)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O is a lipid IVA oxoanion obtained by deprotonation of the phospho and carboxy groups of alpha-Kdo-(2->8)-alpha-Kdo-(2->4)-alpha-Kdo-(2->6)-lipid IVA; major species at pH 7.3. It is a conjugate base of an alpha-Kdo-(2->8)-alpha-Kdo-(2->4)-alpha-Kdo-(2->6)-lipid IVA.