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CHEBI:224046 - Botryorhodine C

Default Structure
ChEBI IDCHEBI:224046
ChEBI NameBotryorhodine C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H16O6
Net Charge0
Average Mass316.309
Monoisotopic Mass316.09469
SMILESCc1cc(O)c(C)c2c1Oc1c(CO)c(O)cc(C)c1C(=O)O2
InChIInChI=1S/C17H16O6/c1-7-4-12(20)10(6-18)16-13(7)17(21)23-15-9(3)11(19)5-8(2)14(15)22-16/h4-5,18-20H,6H2,1-3H3
InChIKeyCYTMELDNMYVTKB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Lasiodiplodia theobromae (ncbitaxon:45133) - PubMed (19913264)
ChEBI Ontology
Outgoing Relation(s)
Botryorhodine C (CHEBI:224046) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
3,9-dihydroxy-10-(hydroxymethyl)-1,4,7-trimethylbenzo[b][1,4]benzodioxepin-6-one
Manual XrefsDatabases
78434926ChemSpider