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CHEBI:217691 - Inonotolide C

ChEBI IDCHEBI:217691
ChEBI NameInonotolide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O4
Net Charge0
Average Mass332.440
Monoisotopic Mass332.19876
SMILESC[C@@]12CCO[C@@H]1C1=C[C@H]3OC(=O)[C@@]4(C)CCC[C@@](C)([C@@H]34)[C@@]1(O)CC2
InChIInChI=1S/C20H28O4/c1-17-7-8-20(22)12(15(17)23-10-9-17)11-13-14-18(2,16(21)24-13)5-4-6-19(14,20)3/h11,13-15,22H,4-10H2,1-3H3/t13-,14+,15-,17-,18+,19+,20-/m1/s1
InChIKeyXJQXYQINKYPKNY-CDPRCGLRSA-N
Species of MetaboliteComponentSourceComments
Inonotus (ncbitaxon:40468) - PubMed (29649493)
ChEBI Ontology
Outgoing Relation(s)
Inonotolide C (CHEBI:217691) is a oxa-steroid (CHEBI:50917)
IUPAC Name 
(1S,2S,5R,9S,12R,15S,19R)-2-hydroxy-1,5,15-trimethyl-8,13-dioxapentacyclo[10.6.1.02,10.05,9.015,19]nonadec-10-en-14-one