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CHEBI:211305 - Botryorhodine I

Default Structure
ChEBI IDCHEBI:211305
ChEBI NameBotryorhodine I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H14O7
Net Charge0
Average Mass318.281
Monoisotopic Mass318.07395
SMILESCc1cc(O)c(O)c2c1Oc1c(CO)c(O)cc(C)c1C(=O)O2
InChIInChI=1S/C16H14O7/c1-6-3-9(18)8(5-17)14-11(6)16(21)23-15-12(20)10(19)4-7(2)13(15)22-14/h3-4,17-20H,5H2,1-2H3
InChIKeyTYHMXOAXQVONSN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Lasiodiplodia theobromae (ncbitaxon:45133) - PubMed (30124067)
ChEBI Ontology
Outgoing Relation(s)
Botryorhodine I (CHEBI:211305) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
3,4,9-trihydroxy-10-(hydroxymethyl)-1,7-dimethylbenzo[b][1,4]benzodioxepin-6-one
Manual XrefsDatabases
75590317ChemSpider