CHEBI:214668 - Inonotusic acid

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Inonotusic acid
ChEBI ID CHEBI:214668
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H28O2
Net Charge 0
Average Mass 312.453
Monoisotopic Mass 312.20893
InChI InChI=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
InChIKey RTVFQOBGBPANTH-FPOVZHCZSA-N
SMILES O=C1C2=C(C=CC(=C2)C(C)C)[C@@]3(C(=O)C)CCCC([C@@H]3C1)(C)C
Metabolite of Species Details
Inonotus obliquus (NCBI:txid167356) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
78441136 ChemSpider
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