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CHEBI:197792 - Brocaenol A

ChEBI IDCHEBI:197792
ChEBI NameBrocaenol A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H14O8
Net Charge0
Average Mass334.280
Monoisotopic Mass334.06887
SMILESCOC(=O)[C@]12Oc3cccc(O)c3C(O)=C1C(=O)OC=C(C)[C@H]2O
InChIInChI=1S/C16H14O8/c1-7-6-23-14(20)11-12(18)10-8(17)4-3-5-9(10)24-16(11,13(7)19)15(21)22-2/h3-6,13,17-19H,1-2H3/t13-,16+/m1/s1
InChIKeyGFYIIWHEPPLOOW-CJNGLKHVSA-N
Species of MetaboliteComponentSourceComments
Penicillium brocae (ncbitaxon:201291) - PubMed (12608826)
ChEBI Ontology
Outgoing Relation(s)
Brocaenol A (CHEBI:197792) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
methyl (5R,5aS)-5,10,11-trihydroxy-4-methyl-1-oxo-5H-oxepino[4,3-b]chromene-5a-carboxylate
Manual XrefsDatabases
78439984ChemSpider