EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:206669 - 3,4,8-trihydroxy-6-methoxy-3,4-dihydro-1(2H)-naphtalenone

ChEBI IDCHEBI:206669
ChEBI Name3,4,8-trihydroxy-6-methoxy-3,4-dihydro-1(2H)-naphtalenone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H12O5
Net Charge0
Average Mass224.212
Monoisotopic Mass224.06847
SMILESCOc1cc(O)c2c(c1)[C@H](O)[C@@H](O)CC2=O
InChIInChI=1S/C11H12O5/c1-16-5-2-6-10(7(12)3-5)8(13)4-9(14)11(6)15/h2-3,9,11-12,14-15H,4H2,1H3/t9-,11-/m0/s1
InChIKeyDMURDVUFGONEOC-ONGXEEELSA-N
Species of MetaboliteComponentSourceComments
Phaeosphaeriaspecies (ncbitaxon:1715242) - PubMed (18444265)
ChEBI Ontology
Outgoing Relation(s)
3,4,8-trihydroxy-6-methoxy-3,4-dihydro-1(2H)-naphtalenone (CHEBI:206669) is a tetralins (CHEBI:36786)
IUPAC Name 
(3S,4S)-3,4,8-trihydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
Manual XrefsDatabases
34543014ChemSpider