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CHEBI:214658 - Inonoalliacane E

ChEBI IDCHEBI:214658
ChEBI NameInonoalliacane E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O6
Net Charge0
Average Mass364.438
Monoisotopic Mass364.18859
SMILESC=C(CO)[C@]12O[C@@]13[C@H](CC(C)(C)[C@@H]3OC(=O)/C(C)=C/C)[C@H](C)[C@H](O)C2=O
InChIInChI=1S/C20H28O6/c1-7-10(2)16(24)25-17-18(5,6)8-13-12(4)14(22)15(23)19(11(3)9-21)20(13,17)26-19/h7,12-14,17,21-22H,3,8-9H2,1-2,4-6H3/b10-7+/t12-,13+,14-,17-,19+,20+/m0/s1
InChIKeyANJDZXQPUCYVPM-AHKLBYECSA-N
Species of MetaboliteComponentSourceComments
Inonotus (ncbitaxon:40468) - PubMed (28173949)
ChEBI Ontology
Outgoing Relation(s)
Inonoalliacane E (CHEBI:214658) 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] (E)-2-methylbut-2-enoate
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78442141ChemSpider