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CHEBI:144157 - Fumarprotocetraric acid

Default Structure
ChEBI IDCHEBI:144157
ChEBI NameFumarprotocetraric acid
Stars
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DownloadsMolfile
FormulaC22H16O12
Net Charge0
Average Mass472.358
Monoisotopic Mass472.06418
SMILESCc1cc(O)c(C=O)c2c1C(=O)Oc1c(COC(=O)/C=C/C(=O)O)c(O)c(C(=O)O)c(C)c1O2
InChIInChI=1S/C22H16O12/c1-8-5-12(24)10(6-23)19-15(8)22(31)34-20-11(7-32-14(27)4-3-13(25)26)17(28)16(21(29)30)9(2)18(20)33-19/h3-6,24,28H,7H2,1-2H3,(H,25,26)(H,29,30)/b4-3+
InChIKeyVEGGRTFDFMUBPD-ONEGZZNKSA-N
ChEBI Ontology
Outgoing Relation(s)
Fumarprotocetraric acid (CHEBI:144157) is a carbonyl compound (CHEBI:36586)