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CHEBI:224517 - Daldinione B

ChEBI IDCHEBI:224517
ChEBI NameDaldinione B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC14H18O4
Net Charge0
Average Mass250.294
Monoisotopic Mass250.12051
SMILESCCc1ccc2c(c1O)C(=O)[C@](O)(CC)[C@@H](O)C2
InChIInChI=1S/C14H18O4/c1-3-8-5-6-9-7-10(15)14(18,4-2)13(17)11(9)12(8)16/h5-6,10,15-16,18H,3-4,7H2,1-2H3/t10-,14-/m0/s1
InChIKeyUSZPPVHIFYAGRA-HZMBPMFUSA-N
Species of MetaboliteComponentSourceComments
Daldinia (ncbitaxon:42360) - PubMed (31373815)
ChEBI Ontology
Outgoing Relation(s)
Daldinione B (CHEBI:224517) is a tetralins (CHEBI:36786)
IUPAC Name 
(2S,3S)-2,7-diethyl-2,3,8-trihydroxy-3,4-dihydronaphthalen-1-one
Manual XrefsDatabases
77429694ChemSpider