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CHEBI:169432 - (3beta,22E,24R)-Ergosta-4,6,8(14),22-tetraen-3-ol

ChEBI IDCHEBI:169432
ChEBI Name(3beta,22E,24R)-Ergosta-4,6,8(14),22-tetraen-3-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H42O
Net Charge0
Average Mass394.643
Monoisotopic Mass394.32357
SMILESCC(C)C(C)/C=C/C(C)C1CCC2=C3C=CC4=CC(O)CCC4(C)C3CCC21C
InChIInChI=1S/C28H42O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,17-20,22,24,26,29H,11-16H2,1-6H3/b8-7+
InChIKeySHHHPKBCWIDXJY-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,22E,24R)-Ergosta-4,6,8(14),22-tetraen-3-ol (CHEBI:169432) is a ergostanoid (CHEBI:50403)
IUPAC Name 
17-[(E)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,9,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-ol
Manual XrefsDatabases
HMDB0041050HMDB