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CHEBI:224313 - Gargalol B

ChEBI IDCHEBI:224313
ChEBI NameGargalol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H42O4
Net Charge0
Average Mass442.640
Monoisotopic Mass442.30831
SMILESCC(C)C(C)C=CC(C)C1CCC2=C3C(=O)CC45CC(O)CCC4(C)C3(CCC21C)OO5
InChIInChI=1S/C28H42O4/c1-17(2)18(3)7-8-19(4)21-9-10-22-24-23(30)16-27-15-20(29)11-12-26(27,6)28(24,32-31-27)14-13-25(21,22)5/h7-8,17-21,29H,9-16H2,1-6H3
InChIKeyLJBJXGTWGWODIW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Grifola gargal (ncbitaxon:702737) - DOI (10.1016/j.tet.2011.05.091)
ChEBI Ontology
Outgoing Relation(s)
Gargalol B (CHEBI:224313) is a ergostanoid (CHEBI:50403)
IUPAC Name 
8-(5,6-dimethylhept-3-en-2-yl)-16-hydroxy-9,13-dimethyl-18,19-dioxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-4-en-3-one