anonymous041/ChEBI-Augmented huggingface dataset:
The molecule S(SC=1N=CN(C1C[C@H](N)C(O)=O)C)C=2N=CN(C2C[C@H](N)C(O)=O)C S(SC=1N=CN(C1C[C@H](N)C(O)=O)C)C=2N=CN(C2C[C@H](N)C(O)=O)C is ovothiol A disulfide. It is also related to or classified as organic disulfide  . It is also related to or classified as non-proteinogenic L-alpha-amino acid .
The molecule C(CN1C(NC([C@H]1CCCCCCC(O)=O)=O)=O)[C@@H](C2CCCCC2)O C(CN1C(NC([C@H]1CCCCCCC(O)=O)=O)=O)[C@@H](C2CCCCC2)O is A 7-[3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid that is the (3S,4R)-enantiomer of BW 245C. It is also related to or classified as 7-[3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid  .
The molecule NC(=O)c1ccccc1O NC(=O)c1ccccc1O is the simplest member of the class of salicylamides derived from salicylic acid. It has the role of non-narcotic analgesic . It has the role of antirheumatic drug . It is also related to or classified as phenols  . It is also related to or classified as salicylamides .
The molecule C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)O)C)C is a 5alpha-chloestane compound having a 3alpha-hydroxy substituent. It has a role as a human metabolite. It is a 3alpha-sterol and a 5alpha-cholestane.
The molecule C(CCCNCCC(=O)O)(=O)O C(CCCNCCC(=O)O)(=O)O is N-carboxyethyl-gamma-aminobutyric acid. Its functional parent is gamma-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule O1C(OC2=C(CC=C(C)C)C=C3C(OC(=O)C=C3)=C2OC)C(O)C(O)C(O)C1C(O)=O O1C(OC2=C(CC=C(C)C)C=C3C(OC(=O)C=C3)=C2OC)C(O)C(O)C(O)C1C(O)=O is 3,4,5-trihydroxy-6-{[8-methoxy-6-(3-methylbut-2-en-1-yl)-2-oxo-2H-chromen-7-yl]oxy}oxane-2-carboxylic acid.  It is also related to or classified as glycoside  . It is also related to or classified as coumarins .
The molecule CC(C(=O)[O-])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 pentaanion of methylmalonyl-CoA arising from deprotonation of carboxy, phosphate and diphosphate OH groups; major species at pH 7.3. It is a conjugate base of a methylmalonyl-CoA.
The molecule O1[C@]([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)(C=2C=3OC(=CC(=O)C3C(O)=CC2O)C4=CC=C(O[C@@H]5O[C@H]([C@H](O)[C@@H](O)[C@H]5O)C)C=C4)[H] O1[C@]([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)(C=2C=3OC(=CC(=O)C3C(O)=CC2O)C4=CC=C(O[C@@H]5O[C@H]([C@H](O)[C@@H](O)[C@H]5O)C)C=C4)[H] is Vitexin rhamnoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule CO[C@@H]1[C@@H](O)[C@H](C)O[C@@H](O)[C@@H]1O CO[C@@H]1[C@@H](O)[C@H](C)O[C@@H](O)[C@@H]1O is A monosaccharide derivative that is the 3-O-methyl derivative of alpha-L-rhamnopyranose. An epitope identified from the glycolipids isolated from Mycobacterium peregrinum. It has the role of epitope . Its functional parent is alpha-L-rhamnopyranose . It is also related to or classified as monosaccharide derivative .
The molecule [C@@H]1([C@@H]([C@@H](O)[C@H]([C@H]([C@@H]1O)OP(=O)(OCOC(=O)CCC)OCOC(=O)CCC)O)OP(=O)(OCOC(=O)CCC)OCOC(=O)CCC)OP(=O)(OCOC(=O)CCC)OCOC(=O)CCC [C@@H]1([C@@H]([C@@H](O)[C@H]([C@H]([C@@H]1O)OP(=O)(OCOC(=O)CCC)OCOC(=O)CCC)O)OP(=O)(OCOC(=O)CCC)OCOC(=O)CCC)OP(=O)(OCOC(=O)CCC)OCOC(=O)CCC is A phosphatidylinositol trisphosphate that is 1D-myo-inositol 1,4,5-trisphosphate in which all all six phosphate hydrogens have been replaced by butyryloxymethyl groups. It is a cell-permeant analogue of inositol 1,4,5-trisphosphate and an agonist of the inositol 1,4,5-trisphosphate receptor. It has the role of IP3 receptor agonist . Its functional parent is 1D-myo-inositol 1,4,5-trisphosphate . It is also related to or classified as phosphatidylinositol trisphosphate .
The molecule C(CN1C(NC([C@@H]1CCCCCCC(O)=O)=O)=O)[C@H](C2CCCCC2)O C(CN1C(NC([C@@H]1CCCCCCC(O)=O)=O)=O)[C@H](C2CCCCC2)O is A 7-[3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid that is the (3R,4S)-enantiomer of BW 245C. It is also related to or classified as 7-[3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid  .
The molecule O(C(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)C[C@@H](O)CO O(C(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)C[C@@H](O)CO is MG(18:3(6Z,9Z,12Z)/0:0/0:0).  It is also related to or classified as 1-acyl-sn-glycerol  . It is also related to or classified as polyunsaturated fatty ester .
The molecule CCCCC/C=C\\C/C=C\\C/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 an unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (2E,11Z,14Z,17Z,20Z)-hexacosapentaenoic acid. It is an unsaturated fatty acyl-CoA and a very long-chain fatty acyl-CoA. It is a conjugate acid of a (2E,11Z,14Z,17Z,20Z)-hexacosapentaenoyl-CoA(4-).
The molecule FC=1C(N2CCN(CC2)CC=3C=C([C@]4(N[C@@](CC5=C4NC=6C5=CC=CC6)(C(O)=O)[H])[H])C=CC3OC)=CC=CC1 FC=1C(N2CCN(CC2)CC=3C=C([C@]4(N[C@@](CC5=C4NC=6C5=CC=CC6)(C(O)=O)[H])[H])C=CC3OC)=CC=CC1 is A member of the class of beta-carbolines that is 2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid in which one of the methylene protons at position 1 has been replaced by a 3-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-4-methoxyphenyl group. It has the role of nicotinic acid adenine dinucleotide phosphate receptor antagonist .  It is also related to or classified as alpha-amino acid  .   It is also related to or classified as monofluorobenzenes  . It is also related to or classified as monomethoxybenzene , N-arylpiperazine , beta-carbolines .
The molecule C1=CC(=C(C=C1C2=C(C(C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@@H](CO)O4)O)O)O)O)=O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@@H](CO)O5)O)O)O C1=CC(=C(C=C1C2=C(C(C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@@H](CO)O4)O)O)O)O)=O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@@H](CO)O5)O)O)O is A quercetin O-glucoside that is quercetin with two beta-D-glucosyl residues attached at positions 7 and 4'. It has the role of plant metabolite . It is also related to or classified as beta-D-glucoside  .   It is also related to or classified as flavonols  . It is also related to or classified as polyphenol , trihydroxyflavone , monosaccharide derivative , quercetin O-glucoside .
The molecule CCCCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1 CCCCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1 is A member of the class of  pyrazolidines that is 1,2-diphenylpyrazolidine-3,5-dione carrying a butyl group at the 4-position. It has the role of metabolite . It has the role of non-steroidal anti-inflammatory drug . It has the role of non-narcotic analgesic . It has the role of antirheumatic drug . It has the role of peripheral nervous system drug . It has the role of EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor . It is also related to or classified as pyrazolidines .
The molecule O(C(O[C@@H](C1=CC=CC=C1)C#N)C(O)C(OC)=O)C(CO)C(OC)=O O(C(O[C@@H](C1=CC=CC=C1)C#N)C(O)C(OC)=O)C(CO)C(OC)=O is Sambucus nigra Degraded cyanogenic glycosides (2'-Epimer). It is also related to or classified as L-alpha-D-Hepp-(1->7)-L-alpha-D-Hepp-(1->3)-L-alpha-D-Hepp-(1->5)-alpha-Kdo  .
The molecule C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)OP(=O)(O)OC[C@H]([C@H]([C@H](CN1C2=CC(=O)C=CC2=CC3=C1NC(=O)NC3=O)O)O)O is the amide obtained by formal condensation of the carboxylic acid group of F420-0 with the amino group of L-gamma-glutamyl-L-gamma-glutamyl-L-glutamic acid. It has a role as a coenzyme. It is a member of pyrimidoquinolines and a ribitol phosphate. It derives from a 7,8-didemethyl-8-hydroxy-5-deazariboflavin. It is a conjugate acid of a coenzyme alpha-F420-3(5-).
The molecule C1=CC(=C(C=C1C2=C(C(C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@@H](CO)O4)O)O)O)O)=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@@H](CO)O5)O)O)O)O)O C1=CC(=C(C=C1C2=C(C(C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@@H](CO)O4)O)O)O)O)=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@@H](CO)O5)O)O)O)O)O is A quercetin O-glucoside that is quercetin with two beta-D-glucosyl residues attached at positions 3 and 7. It has the role of plant metabolite . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as polyphenol , trihydroxyflavone , monosaccharide derivative , quercetin O-glucoside .
The molecule C1CC(C=CC1CC(C(=O)O)N)O is an alpha-amino acid that is alanine substituted at position 3 by a 4-hydroxycyclohex-2-en-1-yl group It is a secondary alcohol and a non-proteinogenic alpha-amino acid. It is a tautomer of a tetrahydrotyrosine zwitterion.
The molecule [Ag+] [Ag+] is silver(1+). It is also related to or classified as monoatomic monocation  . It is also related to or classified as monovalent inorganic cation , silver cation , elemental silver .
The molecule COC1=CC2=C(C=C1)NC3=C4C(=C5C(=C23)C(=O)NC5=O)C6=C(N4)C=CC(=C6)OC is an indolocarbazole compound having methoxy groups at positions 3 and 9 and an additional fused pyrrolidine-2,5-dione ring. It is an inhibitor of BRSK2 kinase, PDGF-dependent receptor autophosphorylation and cell proliferation. It has a role as an EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor. It is an organic heterohexacyclic compound, an indolocarbazole and an aromatic ether.
The molecule [C@@H]1([C@H](O[C@@H]([C@@H]([C@@H]1O)O)CO[C@@]2(C[C@@H]([C@H]([C@@](O2)([C@@H]([C@@H](CO)O)O)[H])NC(=O)C)O)C(=O)O)OCC#C)NC(=O)C [C@@H]1([C@H](O[C@@H]([C@@H]([C@@H]1O)O)CO[C@@]2(C[C@@H]([C@H]([C@@](O2)([C@@H]([C@@H](CO)O)O)[H])NC(=O)C)O)C(=O)O)OCC#C)NC(=O)C is A glycoside consisting of alpha-Neup5Ac-(2->6)-alpha-D-GalpNAc linked glycosidically to a propargyl (prop-2-yn-1-yl) group. It is also related to or classified as glycoside  .
The molecule C[C@@H](O)[C@H](N)C([O-])=O C[C@@H](O)[C@H](N)C([O-])=O is an L-alpha-amino acid anion that is the conjugate base of L-threonine, arising from deprotonation of the carboxy group. It has the role of Saccharomyces cerevisiae metabolite . It has the role of plant metabolite . It has the role of Escherichia coli metabolite . It is also related to or classified as threoninate  . It is also related to or classified as L-alpha-amino acid anion  .
The molecule C1=CC(=C(C=C1C2=C(C(C3=C(C=C(C=C3O2)O)O)=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@@H](CO)O4)O)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@@H](CO)O5)O)O)O C1=CC(=C(C=C1C2=C(C(C3=C(C=C(C=C3O2)O)O)=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@@H](CO)O4)O)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@@H](CO)O5)O)O)O is A quercetin O-glucoside that is quercetin with two beta-D-glucosyl residues attached at positions 3 and 4'. It has the role of radical scavenger . It has the role of plant metabolite . It has the role of cardioprotective agent . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as polyphenol , trihydroxyflavone , monosaccharide derivative , quercetin O-glucoside .
The molecule C[C@@H]1C=C(C(=O)[C@]2([C@H]1C[C@@H]3[C@@]4([C@@H]2[C@@H]([C@H]([C@@]([C@@H]4CC(O3)O)(C)O)OC)O)C)C)OC is a quassinoid that is picras-2-ene substituted by hydroxy groups at positions 11, 13 and 16, methoxy groups at positions 2 and 12 and an oxo group at position 1 (the 11alpha,12beta stereoisomer). It has a role as an antifeedant. It is a quassinoid, a lactol and an organic heterotetracyclic compound. It derives from a hydride of a picrasane.
The molecule O1C23C4C5(C(C2C(C(O)CC3)(C1=O)C)C(O)=O)CC(O)(C(O)C4)C(C5O)=C O1C23C4C5(C(C2C(C(O)CC3)(C1=O)C)C(O)=O)CC(O)(C(O)C4)C(C5O)=C is Gibberellin A86. It is also related to or classified as C19-gibberellin , gibberellin monocarboxylic acid .
The molecule CN(C)c1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O CN(C)c1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O is A  purine ribonucleoside 5'-monophosphate that is adenosine 5'-monophosphate substituted on N-6 by geminal methyl groups. Its functional parent is adenosine 5'-monophosphate . It is also related to or classified as purine ribonucleoside 5'-monophosphate .
The molecule O1[C@]([C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1CO)(C3=C(O)C4=C(OC(=CC4=O)C5=CC=C(O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO)C=C5)C=C3O)[H] O1[C@]([C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1CO)(C3=C(O)C4=C(OC(=CC4=O)C5=CC=C(O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO)C=C5)C=C3O)[H] is Vaccarin. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule NCC(=O)N1[C@H](C(=O)O)C[C@H](C1)O NCC(=O)N1[C@H](C(=O)O)C[C@H](C1)O is Gly-Hyp. Its functional parent is glycine . Its functional parent is trans-4-hydroxy-L-proline . It is also related to or classified as dipeptide  .
The molecule C1O[C@]([C@H]([C@@H]([C@@H]1O)O)O)(O)C[NH2+][C@H](C([O-])=O)C(C)C C1O[C@]([C@H]([C@@H]([C@@H]1O)O)O)(O)C[NH2+][C@H](C([O-])=O)C(C)C is major species at pH 7.3. It is also related to or classified as amino-acid betaine .
The molecule C1(=C(C=C(C=C1OC)CC[NH+](C)C)OC)O C1(=C(C=C(C=C1OC)CC[NH+](C)C)OC)O is major microspecies at pH 7.3. It is also related to or classified as ammonium ion derivative .
The molecule CC(CC/C=C(/C)\\CC/C=C(\\C)/CC/C=C(\\C)/CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)OC1[C@@H]([C@H]([C@@H]([C@H](O1)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[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)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)O)O)O)O[C@@H]9[C@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)NC(=O)C)O)NC(=O)C is a dolichyl diphosphooligosaccharide in which the oligosaccharide moiety is the Man9GlcNAc2Glc branched dodecasaccharide alpha-D-Glc-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc. It is a conjugate acid of an alpha-D-Glc-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol)(2-).
The molecule C(=O)([C@@H](N)CC(C)C)N[C@H](C(=O)N[C@H](C(=O)O)CC(=O)O)CCCCN C(=O)([C@@H](N)CC(C)C)N[C@H](C(=O)N[C@H](C(=O)O)CC(=O)O)CCCCN is Leu-Lys-Asp. Its functional parent is L-leucine . Its functional parent is L-aspartic acid . Its functional parent is L-lysine . It is also related to or classified as tripeptide  .
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 daunosamine. It is also related to or classified as hexosamine  . It is also related to or classified as trideoxyhexose derivative .
The molecule C1C[C@@H](C([C@]2([C@]1([C@@]3([C@@]([C@@H](C2)O)([C@@]45[C@@](CC3)([C@@](CC4)([C@@H]6C[C@@H](OC6O)[C@H]7C(C)(C)O7)[H])C5)C)[H])C)[H])(C)C)O C1C[C@@H](C([C@]2([C@]1([C@@]3([C@@]([C@@H](C2)O)([C@@]45[C@@](CC3)([C@@](CC4)([C@@H]6C[C@@H](OC6O)[C@H]7C(C)(C)O7)[H])C5)C)[H])C)[H])(C)C)O is protoglabretal.  It is also related to or classified as epoxide  . It is also related to or classified as tetracyclic triterpenoid , organic heteroheptacyclic compound .
The molecule C/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)/C(C)(C)/C=C/C(=O)O is a multi-methyl-branched fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3,4,4-trimethylhepta-2,5-dienoic acid. It is an unsaturated fatty acyl-CoA and a multi-methyl-branched fatty acyl-CoA. It derives from a coenzyme A.
The molecule CN1CN([C@@H]2O[C@H](COP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c12 CN1CN([C@@H]2O[C@H](COP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c12 is an organophosphate oxoanion obtained by deprotonation of the diphosphate OH groups of 7-methyl-7,8-dihydroguanosine-5'-diphosphate. It is also related to or classified as organophosphate oxoanion .
The molecule C(=O)([C@@H](N)CC(C)C)NCC(=O)N[C@H](C(=O)O)CO C(=O)([C@@H](N)CC(C)C)NCC(=O)N[C@H](C(=O)O)CO is Leu-Gly-Ser. Its functional parent is glycine . Its functional parent is L-leucine . Its functional parent is L-serine . It is also related to or classified as tripeptide  .
The molecule [H][C@@]12CC[C@@H]3C[C@]1(CC3=C)[C@@H](C([O-])=O)[C@]1([H])[C@@](C)(CCC[C@@]21C)C([O-])=O [H][C@@]12CC[C@@H]3C[C@]1(CC3=C)[C@@H](C([O-])=O)[C@]1([H])[C@@](C)(CCC[C@@]21C)C([O-])=O is A dicarboxylic acid anion obtained by deprotonation of both carboxy groups of gibberellin A12. It is also related to or classified as dicarboxylic acid dianion  . It is also related to or classified as gibberellin carboxylic acid anion .
The molecule [H][C@@]12CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])[C@@H](O)C[C@@]1(C)[C@@]2([H])C[C@H]2OC(CCC)O[C@@]12C(=O)CO [H][C@@]12CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])[C@@H](O)C[C@@]1(C)[C@@]2([H])C[C@H]2OC(CCC)O[C@@]12C(=O)CO is A glucocorticoid steroid having a highly oxygenated pregna-1,4-diene structure. It is used mainly in the treatment of asthma and non-infectious rhinitis and for treatment and prevention of nasal polyposis. It has the role of anti-inflammatory drug . It has the role of bronchodilator agent . It has the role of drug allergen . It is also related to or classified as primary alpha-hydroxy ketone  .   It is also related to or classified as 11beta-hydroxy steroid  .   It is also related to or classified as 3-oxo-Delta(1),Delta(4)-steroid  . It is also related to or classified as glucocorticoid , 21-hydroxy steroid , 20-oxo steroid , cyclic acetal .
The molecule C[C@@H]1[C@@H](C[C@@H]2[C@]13CC(C[C@H]3C=C2C(=O)O)(C)C)O is a tricyclic sesquiterpenoid that is pentalenene in which the 13-methyl group is oxidsed to the carboxylic acid and a hydroxy substituent is located at position 11. It has a role as a metabolite. It is a sesquiterpenoid, a carbotricyclic compound and a 5-hydroxy monocarboxylic acid. It derives from a pentalenene. It is a conjugate acid of a 1-deoxy-11beta-hydroxypentalenate.
The molecule C=1C=C(C=C(C1)NC(=O)NC2CC(OC=3C2=CC(=CC3)NC(OC(C)(C)C)=O)(C)C)C#N C=1C=C(C=C(C1)NC(=O)NC2CC(OC=3C2=CC(=CC3)NC(OC(C)(C)C)=O)(C)C)C#N is A member of the class of chromanes that acts as an inhibitor of histone deacetylase class III and exhibits anti-cancer properties. It has the role of antineoplastic agent . It has the role of EC 3.5.1.98 (histone deacetylase) inhibitor .  It is also related to or classified as nitrile  . It is also related to or classified as phenylureas , carbamate ester , chromanes .
The molecule C1C[C@@H](C([C@]2([C@]1([C@@]3([C@@]([C@@H](C2)O)(C=4[C@@](CC3)([C@@](CC4)([C@@H]5C[C@@H](O[C@H]5OC(C)=O)[C@H]6C(C)(C)O6)[H])C)C)[H])C)[H])(C)C)O C1C[C@@H](C([C@]2([C@]1([C@@]3([C@@]([C@@H](C2)O)(C=4[C@@](CC3)([C@@](CC4)([C@@H]5C[C@@H](O[C@H]5OC(C)=O)[C@H]6C(C)(C)O6)[H])C)C)[H])C)[H])(C)C)O is 21-O-acetyl-isomeliandiol.  It is also related to or classified as epoxide  . It is also related to or classified as acetate ester  . It is also related to or classified as tetracyclic triterpenoid , organic heterohexacyclic compound .
The molecule [C-]#N.[C-]#[O+].[C-]#[O+].[Fe] is an iron coordination entity consisting of two carbonyl and one cyano group coordinated to a central iron atom. The product of HydG, which is then passed onto HydE and HydF to form the H-cluster of the [FeFe]-hydrogenase enzymes. It is a metal carbonyl and an iron coordination entity.
The molecule C1=CC(=CC=C1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O is a beta-D-glucosiduronic acid having a 4-nitrophenyl substituent at the anomeric position. It has a role as a chromogenic compound. It is a beta-D-glucosiduronic acid and a C-nitro compound. It derives from a 4-nitrophenol.
The molecule O([C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(OC)=C(O)C=C4)CO)[C@@H]5O[C@H]([C@H](O)[C@@H](O)[C@H]5O)C O([C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(OC)=C(O)C=C4)CO)[C@@H]5O[C@H]([C@H](O)[C@@H](O)[C@H]5O)C is Isorhamnetin-3-O-nehesperidine. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C/C=C(/[C@@H]([C@@H](/C=C(/C=C/C/C(=C/CC=1C(=C(C(=C(N1)OC)OC)O)C)/C)\C)C)O)\C C/C=C(/[C@@H]([C@@H](/C=C(/C=C/C/C(=C/CC=1C(=C(C(=C(N1)OC)OC)O)C)/C)\C)C)O)\C is A member of the class of monohydroxypyridines that acts as an irreversible mitochondrial Complex I inhibitor that strongly associates with ubiquinone binding sites in both mitochondrial and bacterial forms of NADH:ubiquinone oxidoreductase. It has the role of mitochondrial respiratory-chain inhibitor . It has the role of antimicrobial agent . It has the role of EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitor . It has the role of bacterial metabolite . It is also related to or classified as secondary allylic alcohol  . It is also related to or classified as methylpyridines , aromatic ether , monohydroxypyridine .
The molecule COC(=O)CC(=O)C([O-])=O COC(=O)CC(=O)C([O-])=O is conjugate base of oxaloacetic acid 4-methyl ester; major species at pH 7.3. It is also related to or classified as 2-oxo monocarboxylic acid anion  .
The molecule CCCCCCCCCCCCCCCCCCN\\1C2=CC=CC=C2O/C1=C\\C=C\\C3=[N+](C4=CC=CC=C4O3)CCCCCCCCCCCCCCCCCC.[O-]Cl(=O)(=O)=O is a member of 1,3-benzoxazoles, an organic perchlorate salt and a Cy3 dye. It has a role as a fluorochrome. It contains a diOC18(3)(1+).
The molecule C(=O)([C@@H](N)CCC(O)=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(N[C@H](C(=O)O)CCCNC(=N)N)=O)CC1=CNC2=C1C=CC=C2 C(=O)([C@@H](N)CCC(O)=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(N[C@H](C(=O)O)CCCNC(=N)N)=O)CC1=CNC2=C1C=CC=C2 is A tetrapeptide composed of L-glutamic acid, L-tryptophan, L-aspartic acid, and L-arginine joined in sequence by peptide linkages. Its functional parent is L-glutamic acid . Its functional parent is L-arginine . Its functional parent is L-tryptophan . Its functional parent is L-aspartic acid . It is also related to or classified as tetrapeptide  .
The molecule O(C1C(O)C(O)C(OC1OC2=C(OC)C=C(CC3C(CC4=CC(OC)=C(O)C=C4)C(OC3)=O)C=C2)CO)C5OCC(O)(C5O)CO O(C1C(O)C(O)C(OC1OC2=C(OC)C=C(CC3C(CC4=CC(OC)=C(O)C=C4)C(OC3)=O)C=C2)CO)C5OCC(O)(C5O)CO is (-)-Matairesinol 4'-[apiosyl-(1->2)-glucoside]. It is also related to or classified as glycoside  . It is also related to or classified as lignan  .
The molecule C(=C/C(=O)O)\\C=C\\C(=O)O is a hexadienedioic acid with unsaturation at positions 2 and 4. It has a role as a human xenobiotic metabolite. It is a conjugate acid of a 5-carboxypenta-2,4-dienoate.
The molecule O1C(C(C(C1)CC2=CC(OC)=C(O)C=C2)CO)C3=CC(OC)=C(OC4OC(C(O)C(O)C4O)CO)C=C3 O1C(C(C(C1)CC2=CC(OC)=C(O)C=C2)CO)C3=CC(OC)=C(OC4OC(C(O)C(O)C4O)CO)C=C3 is Lariciresinol 4-o-glucoside. It is also related to or classified as glycoside  . It is also related to or classified as lignan  .
The molecule C(=O)([C@@H](N)CS)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC=1NC=NC1)CC=2C=CC=CC2)CCSC C(=O)([C@@H](N)CS)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC=1NC=NC1)CC=2C=CC=CC2)CCSC is Cys-Met-Phe-His. Its functional parent is L-histidine . Its functional parent is L-methionine . Its functional parent is L-phenylalanine . Its functional parent is L-cysteine . It is also related to or classified as tetrapeptide  .
The molecule CCCCCCCCCCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C CCCCCCCCCCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C is an O-acyl-L-carnitine in which the acyl group is specified as palmitoyl (hexadecanoyl). It has the role of EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor . It has the role of mouse metabolite . It has the role of human metabolite . Its functional parent is hexadecanoic acid . It is also related to or classified as saturated fatty acyl-L-carnitine  . It is also related to or classified as long-chain fatty acyl-L-carnitine  . It is also related to or classified as O-palmitoylcarnitine  .