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CHEBI:144123 - Barbatic acid

Default Structure
ChEBI IDCHEBI:144123
ChEBI NameBarbatic acid
Stars
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DownloadsMolfile
FormulaC19H20O7
Net Charge0
Average Mass360.362
Monoisotopic Mass360.12090
SMILESCOc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)O)c(O)c2C)c(O)c1C
InChIInChI=1S/C19H20O7/c1-8-7-13(11(4)16(20)14(8)18(22)23)26-19(24)15-9(2)6-12(25-5)10(3)17(15)21/h6-7,20-21H,1-5H3,(H,22,23)
InChIKeyNMKBRSYSHBPUPY-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Barbatic acid (CHEBI:144123) is a carbonyl compound (CHEBI:36586)