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CHEBI:217686 - Inonotolide B

ChEBI IDCHEBI:217686
ChEBI NameInonotolide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30O5
Net Charge0
Average Mass374.477
Monoisotopic Mass374.20932
SMILESCC(=O)O[C@@H]1CO[C@@H]2C3=C[C@H]4OC(=O)[C@@]5(C)CCC[C@@](C)([C@@H]45)[C@H]3CC[C@@]21C
InChIInChI=1S/C22H30O5/c1-12(23)26-16-11-25-18-13-10-15-17-20(2,14(13)6-9-21(16,18)3)7-5-8-22(17,4)19(24)27-15/h10,14-18H,5-9,11H2,1-4H3/t14-,15+,16+,17+,18+,20+,21+,22-/m0/s1
InChIKeyGYYXRBVTJTWJGT-BLUHVHBJSA-N
Species of MetaboliteComponentSourceComments
Inonotus (ncbitaxon:40468) - PubMed (29649493)
ChEBI Ontology
Outgoing Relation(s)
Inonotolide B (CHEBI:217686) is a oxa-steroid (CHEBI:50917)
IUPAC Name 
[(1R,2R,5S,6S,9R,12R,15S,19R)-1,5,15-trimethyl-14-oxo-8,13-dioxapentacyclo[10.6.1.02,10.05,9.015,19]nonadec-10-en-6-yl] acetate