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CHEBI:216242 - Brocaenol B

ChEBI IDCHEBI:216242
ChEBI NameBrocaenol B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC17H14O8
Net Charge0
Average Mass346.291
Monoisotopic Mass346.06887
SMILESCOC(=O)[C@]12Oc3cccc(O)c3C(=O)C1=C(OC)OC=C(C)C2=O
InChIInChI=1S/C17H14O8/c1-8-7-24-15(22-2)12-13(19)11-9(18)5-4-6-10(11)25-17(12,14(8)20)16(21)23-3/h4-7,18H,1-3H3/t17-/m0/s1
InChIKeyOXAJFKDURZRJOW-KRWDZBQOSA-N
Species of MetaboliteComponentSourceComments
Penicillium brocae (ncbitaxon:201291) - PubMed (12608826)
ChEBI Ontology
Outgoing Relation(s)
Brocaenol B (CHEBI:216242) is a chromones (CHEBI:23238)
IUPAC Name 
methyl (5aS)-10-hydroxy-1-methoxy-4-methyl-5,11-dioxooxepino[4,3-b]chromene-5a-carboxylate
Manual XrefsDatabases
8150473ChemSpider