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CHEBI:175794 - 14alpha-Hydroxyixocarpanolide

Default Structure
ChEBI IDCHEBI:175794
ChEBI Name14alpha-Hydroxyixocarpanolide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H40O7
Net Charge0
Average Mass488.621
Monoisotopic Mass488.27740
SMILESCC1CC(C(C)(O)C2CCC3(O)C4C5OC5C5(O)CC=CC(=O)C5(C)C4CCC23C)OC(=O)C1C
InChIInChI=1S/C28H40O7/c1-14-13-19(34-23(30)15(14)2)26(5,31)17-9-12-27(32)20-16(8-11-24(17,27)3)25(4)18(29)7-6-10-28(25,33)22-21(20)35-22/h6-7,14-17,19-22,31-33H,8-13H2,1-5H3
InChIKeySPZVPSAUINZULS-UHFFFAOYSA-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)
14alpha-Hydroxyixocarpanolide (CHEBI:175794) is a withanolide (CHEBI:74716)
IUPAC Name 
15-[1-(4,5-dimethyl-6-oxooxan-2-yl)-1-hydroxyethyl]-5,18-dihydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-9-one
Manual XrefsDatabases
HMDB0034334HMDB