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CHEBI:214641 - Inonoalliacane B

ChEBI IDCHEBI:214641
ChEBI NameInonoalliacane B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H24O6
Net Charge0
Average Mass324.373
Monoisotopic Mass324.15729
SMILESC=C(CO)[C@]12O[C@@]13[C@H](CC(C)(C)[C@@H]3OC(C)=O)[C@H](C)[C@H](O)C2=O
InChIInChI=1S/C17H24O6/c1-8(7-18)16-13(21)12(20)9(2)11-6-15(4,5)14(22-10(3)19)17(11,16)23-16/h9,11-12,14,18,20H,1,6-7H2,2-5H3/t9-,11+,12-,14-,16+,17+/m0/s1
InChIKeyIZEHSXXATFMGEB-PCKXDQECSA-N
Species of MetaboliteComponentSourceComments
Inonotus (ncbitaxon:40468) - PubMed (28173949)
ChEBI Ontology
Outgoing Relation(s)
Inonoalliacane B (CHEBI:214641) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(1R,3S,5S,6S,7R,10S)-5-hydroxy-3-(3-hydroxyprop-1-en-2-yl)-6,9,9-trimethyl-4-oxo-2-oxatricyclo[5.3.0.01,3]decan-10-yl] acetate
Manual XrefsDatabases
78442138ChemSpider