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CHEBI:144189 - Physodalic acid

Default Structure
ChEBI IDCHEBI:144189
ChEBI NamePhysodalic acid
Stars
Submittermwilliams
DownloadsMolfile
FormulaC20H16O10
Net Charge0
Average Mass416.338
Monoisotopic Mass416.07435
SMILESCC(=O)OCc1c(O)c(C(=O)O)c(C)c2c1OC(=O)c1c(C)cc(O)c(C=O)c1O2
InChIInChI=1S/C20H16O10/c1-7-4-12(23)10(5-21)17-13(7)20(27)30-18-11(6-28-9(3)22)15(24)14(19(25)26)8(2)16(18)29-17/h4-5,23-24H,6H2,1-3H3,(H,25,26)
InChIKeySKXNIRUDASOCCN-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Physodalic acid (CHEBI:144189) is a carbonyl compound (CHEBI:36586)