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CHEBI:144231 - Squamatic acid

Default Structure
ChEBI IDCHEBI:144231
ChEBI NameSquamatic acid
Stars
Submittermwilliams
DownloadsMolfile
FormulaC19H18O9
Net Charge0
Average Mass390.344
Monoisotopic Mass390.09508
SMILESCOc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)O)c(O)c2C)c(O)c1C(=O)O
InChIInChI=1S/C19H18O9/c1-7-5-10(9(3)15(20)12(7)17(22)23)28-19(26)13-8(2)6-11(27-4)14(16(13)21)18(24)25/h5-6,20-21H,1-4H3,(H,22,23)(H,24,25)
InChIKeyWCWYEXBIRSSVGF-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Squamatic acid (CHEBI:144231) is a carbonyl compound (CHEBI:36586)