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CHEBI:144235 - Thamnolic acid

Default Structure
ChEBI IDCHEBI:144235
ChEBI NameThamnolic acid
Stars
Submittermwilliams
DownloadsMolfile
FormulaC19H16O11
Net Charge0
Average Mass420.326
Monoisotopic Mass420.06926
SMILESCOc1cc(C)c(C(=O)Oc2c(C)c(C(=O)O)c(O)c(C=O)c2O)c(O)c1C(=O)O
InChIInChI=1S/C19H16O11/c1-6-4-9(29-3)12(18(26)27)15(23)10(6)19(28)30-16-7(2)11(17(24)25)13(21)8(5-20)14(16)22/h4-5,21-23H,1-3H3,(H,24,25)(H,26,27)
InChIKeyRNCJCRJLNVRWJX-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Thamnolic acid (CHEBI:144235) is a carbonyl compound (CHEBI:36586)