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CHEBI:213552 - Phellinignin D

Default Structure
ChEBI IDCHEBI:213552
ChEBI NamePhellinignin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22O3
Net Charge0
Average Mass262.349
Monoisotopic Mass262.15689
SMILESCOC(=O)c1cc(CCO)c(C)c2c1CC(C)(C)C2
InChIInChI=1S/C16H22O3/c1-10-11(5-6-17)7-12(15(18)19-4)14-9-16(2,3)8-13(10)14/h7,17H,5-6,8-9H2,1-4H3
InChIKeyRSQMGINRZHWMCA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Phellinus igniarius (ncbitaxon:40472) - PubMed (31704260)
ChEBI Ontology
Outgoing Relation(s)
Phellinignin D (CHEBI:213552) is a indanes (CHEBI:46940)
IUPAC Name 
methyl 6-(2-hydroxyethyl)-2,2,7-trimethyl-1,3-dihydroindene-4-carboxylate