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CHEBI:224530 - Daldinione E

ChEBI IDCHEBI:224530
ChEBI NameDaldinione E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H16O5
Net Charge0
Average Mass276.288
Monoisotopic Mass276.09977
SMILESCCc1c(O)cc2c(=O)oc(C)c(C)c(=O)c2c1OC
InChIInChI=1S/C15H16O5/c1-5-9-11(16)6-10-12(14(9)19-4)13(17)7(2)8(3)20-15(10)18/h6,16H,5H2,1-4H3
InChIKeyKOBYSMRQNLEKKR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Daldinia (ncbitaxon:42360) - PubMed (31373815)
ChEBI Ontology
Outgoing Relation(s)
Daldinione E (CHEBI:224530) is a methoxybenzenes (CHEBI:51683)
IUPAC Name 
7-ethyl-8-hydroxy-6-methoxy-3,4-dimethyl-2-benzoxepine-1,5-dione
Manual XrefsDatabases
77429697ChemSpider