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CHEBI:214647 - Inonoalliacane C

ChEBI IDCHEBI:214647
ChEBI NameInonoalliacane C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H28O7
Net Charge0
Average Mass368.426
Monoisotopic Mass368.18350
SMILESC=C(CO)[C@]12O[C@@]13[C@H](CC(C)(C)[C@@H]3OC(=O)C(C)(C)O)[C@H](C)[C@H](O)C2=O
InChIInChI=1S/C19H28O7/c1-9(8-20)18-13(22)12(21)10(2)11-7-16(3,4)14(19(11,18)26-18)25-15(23)17(5,6)24/h10-12,14,20-21,24H,1,7-8H2,2-6H3/t10-,11+,12-,14-,18+,19+/m0/s1
InChIKeyYAAFSBWDFJTVPU-FTPILBNTSA-N
Species of MetaboliteComponentSourceComments
Inonotus (ncbitaxon:40468) - PubMed (28173949)
ChEBI Ontology
Outgoing Relation(s)
Inonoalliacane C (CHEBI:214647) 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-hydroxy-2-methylpropanoate
Manual XrefsDatabases
78442139ChemSpider