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CHEBI:8272 - Plicatic acid

ChEBI IDCHEBI:8272
ChEBI NamePlicatic acid
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H22O10
Net Charge0
Average Mass422.386
Monoisotopic Mass422.12130
SMILESCOc1cc2c(cc1O)[C@H](c1cc(O)c(O)c(OC)c1)[C@@](O)(C(=O)O)[C@](O)(CO)C2
InChIInChI=1S/C20H22O10/c1-29-14-5-10-7-19(27,8-21)20(28,18(25)26)16(11(10)6-12(14)22)9-3-13(23)17(24)15(4-9)30-2/h3-6,16,21-24,27-28H,7-8H2,1-2H3,(H,25,26)/t16-,19+,20+/m0/s1
InChIKeyPGFBYAIGHPJFFJ-PWIZWCRZSA-N
ChEBI Ontology
Outgoing Relation(s)
Plicatic acid (CHEBI:8272) is a lignan (CHEBI:25036)
Synonym  Source
Plicatic acidKEGG COMPOUND
Manual XrefsDatabases
C10873KEGG COMPOUND
C00000634KNApSAcK
Registry NumbersSources
CAS:16462-65-0KEGG COMPOUND