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CHEBI:168427 - (3beta,5beta,8beta,22E,24xi)-Ergosta-6,22-diene-3,5,8-triol

ChEBI IDCHEBI:168427
ChEBI Name(3beta,5beta,8beta,22E,24xi)-Ergosta-6,22-diene-3,5,8-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H46O3
Net Charge0
Average Mass430.673
Monoisotopic Mass430.34470
SMILESCC(C)C(C)/C=C/C(C)C1CCC2C3(O)C=CC4(O)CC(O)CCC4(C)C3CCC12C
InChIInChI=1S/C28H46O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26,30)15-16-28(23,24)31/h7-8,15-16,18-24,29-31H,9-14,17H2,1-6H3/b8-7+
InChIKeyUPJVQRZPXLZUET-BQYQJAHWSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
(3beta,5beta,8beta,22E,24xi)-Ergosta-6,22-diene-3,5,8-triol (CHEBI:168427) is a ergostanoid (CHEBI:50403)
IUPAC Name 
17-[(E)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,5,8-triol
Manual XrefsDatabases
HMDB0038353HMDB