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CHEBI:212214 - Botryosphaerin A

ChEBI IDCHEBI:212214
ChEBI NameBotryosphaerin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H14O6
Net Charge0
Average Mass266.249
Monoisotopic Mass266.07904
SMILESCOc1cc2cc(C[C@H](C)O)oc(=O)c2c(O)c1O
InChIInChI=1S/C13H14O6/c1-6(14)3-8-4-7-5-9(18-2)11(15)12(16)10(7)13(17)19-8/h4-6,14-16H,3H2,1-2H3/t6-/m0/s1
InChIKeyUTVGKXNRFZBOGA-LURJTMIESA-N
Species of MetaboliteComponentSourceComments
Botryosphaeria (ncbitaxon:45132) - PubMed (26156623)
ChEBI Ontology
Outgoing Relation(s)
Botryosphaerin A (CHEBI:212214) is a isocoumarins (CHEBI:38758)
IUPAC Name 
7,8-dihydroxy-3-[(2S)-2-hydroxypropyl]-6-methoxyisochromen-1-one
Manual XrefsDatabases
58196419ChemSpider