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CHEBI:204596 - Brocaenol C

ChEBI IDCHEBI:204596
ChEBI NameBrocaenol C
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SubmitterMetaboLights
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FormulaC16H12O8
Net Charge0
Average Mass332.264
Monoisotopic Mass332.05322
SMILESCOC(=O)[C@]12Oc3cccc(O)c3C(O)=C1C(=O)OC=C(C)C2=O
InChIInChI=1S/C16H12O8/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/h3-6,17-18H,1-2H3/t16-/m0/s1
InChIKeyBRCKHUUNFUINBT-INIZCTEOSA-N
Species of MetaboliteComponentSourceComments
Penicillium brocae (ncbitaxon:201291) - PubMed (12608826)
ChEBI Ontology
Outgoing Relation(s)
Brocaenol C (CHEBI:204596) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
methyl (5aS)-10,11-dihydroxy-4-methyl-1,5-dioxooxepino[4,3-b]chromene-5a-carboxylate
Manual XrefsDatabases
78440191ChemSpider