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CHEBI:227781 - Botryorhodine E

Default Structure
ChEBI IDCHEBI:227781
ChEBI NameBotryorhodine E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H12O6
Net Charge0
Average Mass288.255
Monoisotopic Mass288.06339
SMILESCc1cc(O)cc2c1Oc1c(O)c(O)cc(C)c1C(=O)O2
InChIInChI=1S/C15H12O6/c1-6-4-9(17)12(18)14-11(6)15(19)20-10-5-8(16)3-7(2)13(10)21-14/h3-5,16-18H,1-2H3
InChIKeyQDRVMTHJKWGGGE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Meyerozyma guilliermondii (ncbitaxon:4929) - PubMed (26425177)
ChEBI Ontology
Outgoing Relation(s)
Botryorhodine E (CHEBI:227781) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
3,9,10-trihydroxy-1,7-dimethylbenzo[b][1,4]benzodioxepin-6-one
Manual XrefsDatabases
40256761ChemSpider