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CHEBI:210881 - Phomopsiketone C

ChEBI IDCHEBI:210881
ChEBI NamePhomopsiketone C
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+/m1/s1
InChIKeyDMURDVUFGONEOC-KOLCDFICSA-N
Species of MetaboliteComponentSourceComments
Phomopsis (ncbitaxon:34399) - DOI (10.1016/j.tet.2017.02.019)
ChEBI Ontology
Outgoing Relation(s)
Phomopsiketone C (CHEBI:210881) is a tetralins (CHEBI:36786)
IUPAC Name 
(3R,4S)-3,4,8-trihydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
Manual XrefsDatabases
78441710ChemSpider