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CHEBI:193033 - 27-hydroxywithanone

ChEBI IDCHEBI:193033
ChEBI Name27-hydroxywithanone
Stars
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC28H38O7
Net Charge0
Average Mass486.605
Monoisotopic Mass486.26175
SMILES[H][C@@]12CC[C@](O)([C@H](C)[C@@]3([H])CC(C)=C(CO)C(=O)O3)[C@@]1(C)CC[C@]1([H])[C@@]3(C)C(=O)C=CC[C@]3(O)[C@H]3O[C@H]3[C@@]21[H]
InChIInChI=1S/C28H38O7/c1-14-12-19(34-24(31)16(14)13-29)15(2)27(32)11-8-17-21-18(7-10-25(17,27)3)26(4)20(30)6-5-9-28(26,33)23-22(21)35-23/h5-6,15,17-19,21-23,29,32-33H,7-13H2,1-4H3/t15-,17+,18+,19-,21+,22+,23+,25+,26+,27+,28+/m1/s1
InChIKeyXOKCBESGXYESDY-LGZUTLPBSA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
27-hydroxywithanone (CHEBI:193033) is a 17α-hydroxy steroid (CHEBI:35342)
27-hydroxywithanone (CHEBI:193033) is a 27-hydroxy steroid (CHEBI:37914)
27-hydroxywithanone (CHEBI:193033) is a 27-hydroxysterols (CHEBI:193031)
27-hydroxywithanone (CHEBI:193033) is a enone (CHEBI:51689)
27-hydroxywithanone (CHEBI:193033) is a epoxy steroid (CHEBI:145217)
27-hydroxywithanone (CHEBI:193033) is a ergostanoid (CHEBI:50403)
27-hydroxywithanone (CHEBI:193033) is a primary alcohol (CHEBI:15734)
27-hydroxywithanone (CHEBI:193033) is a secondary alcohol (CHEBI:35681)
27-hydroxywithanone (CHEBI:193033) is a withanolide (CHEBI:74716)
27-hydroxywithanone (CHEBI:193033) is a δ-lactone (CHEBI:18946)
UniProt Name  Source
27-hydroxywithanoneUniProt
Manual XrefsDatabases
CPD-24474MetaCyc
Citations