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CHEBI:220464 - Rubetaujaponol I

Default Structure
ChEBI IDCHEBI:220464
ChEBI NameRubetaujaponol I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H24O4
Net Charge0
Average Mass280.364
Monoisotopic Mass280.16746
SMILESCOCc1c(CCO)c(C)c(O)c2c1C[C@@](C)(CO)C2
InChIInChI=1S/C16H24O4/c1-10-11(4-5-17)14(8-20-3)12-6-16(2,9-18)7-13(12)15(10)19/h17-19H,4-9H2,1-3H3/t16-/m1/s1
InChIKeyHSQLSPLZQFYXTI-MRXNPFEDSA-N
Species of MetaboliteComponentSourceComments
Russula (ncbitaxon:5402) - PubMed (19252327)
ChEBI Ontology
Outgoing Relation(s)
Rubetaujaponol I (CHEBI:220464) is a indanes (CHEBI:46940)
IUPAC Name 
(2R)-6-(2-hydroxyethyl)-2-(hydroxymethyl)-7-(methoxymethyl)-2,5-dimethyl-1,3-dihydroinden-4-ol
Manual XrefsDatabases
78438737ChemSpider