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CHEBI:209233 - Aspewentin M

ChEBI IDCHEBI:209233
ChEBI NameAspewentin M
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O3
Net Charge0
Average Mass316.441
Monoisotopic Mass316.20384
SMILESC=C[C@@]1(C)CCC2=C(C(=O)C=C3C(C)(C)CCC[C@@]32O)[C@H]1OC
InChIInChI=1S/C20H28O3/c1-6-19(4)11-8-13-16(17(19)23-5)14(21)12-15-18(2,3)9-7-10-20(13,15)22/h6,12,17,22H,1,7-11H2,2-5H3/t17-,19+,20+/m1/s1
InChIKeyXSLDQHGHXMMWHY-HOJAQTOUSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (30423951)
ChEBI Ontology
Outgoing Relation(s)
Aspewentin M (CHEBI:209233) is a oxo steroid (CHEBI:35789)
IUPAC Name 
(4aS,7R,8S)-7-ethenyl-4a-hydroxy-8-methoxy-1,1,7-trimethyl-2,3,4,5,6,8-hexahydrophenanthren-9-one
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70999827ChemSpider