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CHEBI:218216 - 3S*,4S*-7-ethyl-4,8-dihydroxy-3,6-dimethoxy-3,4-dihydronaphthalen-1(2H)-one

ChEBI IDCHEBI:218216
ChEBI Name3S*,4S*-7-ethyl-4,8-dihydroxy-3,6-dimethoxy-3,4-dihydronaphthalen-1(2H)-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H18O5
Net Charge0
Average Mass266.293
Monoisotopic Mass266.11542
SMILESCCc1c(OC)cc2c(c1O)C(=O)C[C@H](OC)[C@H]2O
InChIInChI=1S/C14H18O5/c1-4-7-10(18-2)5-8-12(14(7)17)9(15)6-11(19-3)13(8)16/h5,11,13,16-17H,4,6H2,1-3H3/t11-,13-/m0/s1
InChIKeyYLSOOYDKHUEZQR-AAEUAGOBSA-N
Species of MetaboliteComponentSourceComments
Delitschiaspecies (ncbitaxon:2012369) - PubMed (30016827)
ChEBI Ontology
Outgoing Relation(s)
3S*,4S*-7-ethyl-4,8-dihydroxy-3,6-dimethoxy-3,4-dihydronaphthalen-1(2H)-one (CHEBI:218216) is a tetralins (CHEBI:36786)
IUPAC Name 
(3S,4S)-7-ethyl-4,8-dihydroxy-3,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-one
Manual XrefsDatabases
78443613ChemSpider