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CHEBI:222721 - Botryorhodine D

Default Structure
ChEBI IDCHEBI:222721
ChEBI NameBotryorhodine D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H14O6
Net Charge0
Average Mass302.282
Monoisotopic Mass302.07904
SMILESCc1cc(O)cc2c1Oc1c(CO)c(O)cc(C)c1C(=O)O2
InChIInChI=1S/C16H14O6/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/h3-5,17-19H,6H2,1-2H3
InChIKeyKDERZBIXGNVSOM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Lasiodiplodia theobromae (ncbitaxon:45133) - PubMed (19913264)
ChEBI Ontology
Outgoing Relation(s)
Botryorhodine D (CHEBI:222721) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
3,9-dihydroxy-10-(hydroxymethyl)-1,7-dimethylbenzo[b][1,4]benzodioxepin-6-one
Manual XrefsDatabases
78434911ChemSpider