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CHEBI:208422 - 3,4,8-trihydroxy-6-(hydroxymethyl)-3,4-dihydronaphthalen-1(2H)-one

ChEBI IDCHEBI:208422
ChEBI Name3,4,8-trihydroxy-6-(hydroxymethyl)-3,4-dihydronaphthalen-1(2H)-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H12O5
Net Charge0
Average Mass224.212
Monoisotopic Mass224.06847
SMILESO=C1C[C@H](O)[C@@H](O)c2cc(CO)cc(O)c21
InChIInChI=1S/C11H12O5/c12-4-5-1-6-10(7(13)2-5)8(14)3-9(15)11(6)16/h1-2,9,11-13,15-16H,3-4H2/t9-,11-/m0/s1
InChIKeyDNTJZIFWHDIJNL-ONGXEEELSA-N
Species of MetaboliteComponentSourceComments
Daldinia eschscholtzii (ncbitaxon:292717) - PubMed (21434637)
ChEBI Ontology
Outgoing Relation(s)
3,4,8-trihydroxy-6-(hydroxymethyl)-3,4-dihydronaphthalen-1(2H)-one (CHEBI:208422) is a tetralins (CHEBI:36786)
IUPAC Name 
(3S,4S)-3,4,8-trihydroxy-6-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-one
Manual XrefsDatabases
78440236ChemSpider