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CHEBI:210087 - Botryorhodine J

Default Structure
ChEBI IDCHEBI:210087
ChEBI NameBotryorhodine J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24O6
Net Charge0
Average Mass372.417
Monoisotopic Mass372.15729
SMILESCCCCOCc1c(O)cc(C)c2c1Oc1c(C)cc(O)c(C)c1OC2=O
InChIInChI=1S/C21H24O6/c1-5-6-7-25-10-14-16(23)8-11(2)17-20(14)26-18-12(3)9-15(22)13(4)19(18)27-21(17)24/h8-9,22-23H,5-7,10H2,1-4H3
InChIKeyPNEVDBWCRSYOTH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Exserohilum (ncbitaxon:91493) - PubMed (30091601)
ChEBI Ontology
Outgoing Relation(s)
Botryorhodine J (CHEBI:210087) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
10-(butoxymethyl)-3,9-dihydroxy-1,4,7-trimethylbenzo[b][1,4]benzodioxepin-6-one
Manual XrefsDatabases
71044431ChemSpider