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CHEBI:214625 - Inonoalliacane H

ChEBI IDCHEBI:214625
ChEBI NameInonoalliacane H
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H30O6
Net Charge0
Average Mass354.443
Monoisotopic Mass354.20424
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)[C@@H]2O
InChIInChI=1S/C19H30O6/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/h9,11-14,16,20-22H,3,7-8H2,1-2,4-6H3/t11-,12+,13-,14-,16-,18+,19+/m0/s1
InChIKeyXSISFAKNZSTKFB-SXSFCFGSSA-N
Species of MetaboliteComponentSourceComments
Inonotus (ncbitaxon:40468) - PubMed (28173949)
ChEBI Ontology
Outgoing Relation(s)
Inonoalliacane H (CHEBI:214625) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(1R,3R,4S,5S,6S,7R,10S)-4,5-dihydroxy-3-(3-hydroxyprop-1-en-2-yl)-6,9,9-trimethyl-2-oxatricyclo[5.3.0.01,3]decan-10-yl] 2-methylpropanoate
Manual XrefsDatabases
78442135ChemSpider