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CHEBI:214636 - Inonoalliacane A

ChEBI IDCHEBI:214636
ChEBI NameInonoalliacane A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H28O6
Net Charge0
Average Mass352.427
Monoisotopic Mass352.18859
SMILESC=C(CO)[C@]12O[C@@]13[C@H](CC(C)(C)[C@@H]3OC(=O)C(C)C)[C@H](C)[C@H](O)C2=O
InChIInChI=1S/C19H28O6/c1-9(2)15(23)24-16-17(5,6)7-12-11(4)13(21)14(22)18(10(3)8-20)19(12,16)25-18/h9,11-13,16,20-21H,3,7-8H2,1-2,4-6H3/t11-,12+,13-,16-,18+,19+/m0/s1
InChIKeyAFSDJOFRPQAQSZ-OZRKAEAYSA-N
Species of MetaboliteComponentSourceComments
Inonotus (ncbitaxon:40468) - PubMed (28173949)
ChEBI Ontology
Outgoing Relation(s)
Inonoalliacane A (CHEBI:214636) 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] 2-methylpropanoate
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78442137ChemSpider