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CHEBI:214668 - Inonotusic acid

ChEBI IDCHEBI:214668
ChEBI NameInonotusic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28O2
Net Charge0
Average Mass312.453
Monoisotopic Mass312.20893
SMILESCC(=O)[C@]12CCCC(C)(C)[C@@H]1CC(=O)c1cc(C(C)C)ccc12
InChIInChI=1S/C21H28O2/c1-13(2)15-7-8-17-16(11-15)18(23)12-19-20(4,5)9-6-10-21(17,19)14(3)22/h7-8,11,13,19H,6,9-10,12H2,1-5H3/t19-,21-/m0/s1
InChIKeyRTVFQOBGBPANTH-FPOVZHCZSA-N
Species of MetaboliteComponentSourceComments
Inonotus obliquus (ncbitaxon:167356) - PubMed (24359303)
ChEBI Ontology
Outgoing Relation(s)
Inonotusic acid (CHEBI:214668) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(4aR,10aS)-4a-acetyl-1,1-dimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
Manual XrefsDatabases
78441136ChemSpider