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CHEBI:224512 - Daldinione A

ChEBI IDCHEBI:224512
ChEBI NameDaldinione A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H14O4
Net Charge0
Average Mass222.240
Monoisotopic Mass222.08921
SMILESCC[C@@]1(O)C(=O)c2c(O)cccc2C[C@@H]1O
InChIInChI=1S/C12H14O4/c1-2-12(16)9(14)6-7-4-3-5-8(13)10(7)11(12)15/h3-5,9,13-14,16H,2,6H2,1H3/t9-,12-/m0/s1
InChIKeyKWQMFOOHNYPCHI-CABZTGNLSA-N
Species of MetaboliteComponentSourceComments
Daldinia (ncbitaxon:42360) - PubMed (31373815)
ChEBI Ontology
Outgoing Relation(s)
Daldinione A (CHEBI:224512) is a tetralins (CHEBI:36786)
IUPAC Name 
(2S,3S)-2-ethyl-2,3,8-trihydroxy-3,4-dihydronaphthalen-1-one
Manual XrefsDatabases
77429693ChemSpider