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CHEBI:168418 - (5x,6x)-5,6-Epoxyergosta-7,22-dien-3-ol

ChEBI IDCHEBI:168418
ChEBI Name(5x,6x)-5,6-Epoxyergosta-7,22-dien-3-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H44O2
Net Charge0
Average Mass412.658
Monoisotopic Mass412.33413
SMILESCC(C)C(C)/C=C/C(C)C1CCC2C3=CC4OC45CC(O)CCC5(C)C3CCC21C
InChIInChI=1S/C28H44O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-15-25-28(30-25)16-20(29)11-14-27(28,6)24(21)12-13-26(22,23)5/h7-8,15,17-20,22-25,29H,9-14,16H2,1-6H3/b8-7+
InChIKeyKVMYKLHJBYIOKD-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)
(5x,6x)-5,6-Epoxyergosta-7,22-dien-3-ol (CHEBI:168418) is a ergostanoid (CHEBI:50403)
IUPAC Name 
15-[(E)-5,6-dimethylhept-3-en-2-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-10-en-5-ol
Manual XrefsDatabases
HMDB0033421HMDB