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CHEBI:205087 - Botryorhodine A

Default Structure
ChEBI IDCHEBI:205087
ChEBI NameBotryorhodine A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H12O6
Net Charge0
Average Mass300.266
Monoisotopic Mass300.06339
SMILESCc1cc(O)cc2c1Oc1c(C=O)c(O)cc(C)c1C(=O)O2
InChIInChI=1S/C16H12O6/c1-7-4-11(19)10(6-17)15-13(7)16(20)21-12-5-9(18)3-8(2)14(12)22-15/h3-6,18-19H,1-2H3
InChIKeyQQDBQWUHQOGQCJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Lasiodiplodia theobromae (ncbitaxon:45133) - PubMed (19913264)
ChEBI Ontology
Outgoing Relation(s)
Botryorhodine A (CHEBI:205087) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
3,9-dihydroxy-1,7-dimethyl-6-oxobenzo[b][1,4]benzodioxepine-10-carbaldehyde
Manual XrefsDatabases
28287129ChemSpider