WormBase Tree Display for Molecule: WBMol:00005248
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WBMol:00005248 | Public_name | hbas#3 | |||
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Monoisotopic_mass | 422.194 | ||||
IUPAC | (2E,8R)-8-{[3,6-dideoxy-4-O-(4-hydroxybenzoyl)-alpha-L-arabino-hexopyranosyl]oxy}non-2-enoic acid | ||||
SMILES | C[C@H](CCCC\C=C\C(O)=O)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)c1ccc(O)cc1 | ||||
InChi | InChI=1S/C22H30O8/c1-14(7-5-3-4-6-8-20(25)26)28-22-18(24)13-19(15(2)29-22)30-21(27)16-9-11-17(23)12-10-16/h6,8-12,14-15,18-19,22-24H,3-5,7,13H2,1-2H3,(H,25,26)/b8-6+/t14-,15+,18-,19-,22-/m1/s1 | ||||
InChiKey | BJUWUCQZCXGYNI-NJABCCJWSA-N | ||||
Synonym | 8R-(3'R-hydroxy-5'R-O-(4-hydroxybenzoyl)-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-2E-nonenoic acid | ||||
DB_info | Database | ChEBI | CHEBI_ID | 79321 | |
SMID-DB | hbas#3 | ||||
Status | Detected | Paper_evidence | WBPaper00040624 | ||
Detection_method | LC-MS | Paper_evidence | WBPaper00040624 | ||
Extraction_method | EtOH | Paper_evidence | WBPaper00040624 | ||
Endogenous_in | Caenorhabditis elegans | ||||
Biofunction_role | Metabolite | Paper_evidence | WBPaper00040624 | ||
Reference | WBPaper00038769 | ||||
WBPaper00040624 |