CHEBI:8272 - Plicatic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Plicatic acid
ChEBI ID CHEBI:8272
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H22O10
Net Charge 0
Average Mass 422.383
Monoisotopic Mass 422.121
InChI InChI=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
InChIKey PGFBYAIGHPJFFJ-PWIZWCRZSA-N
SMILES COc1cc2C[C@@](O)(CO)[C@@](O)([C@@H](c3cc(O)c(O)c(OC)c3)c2cc1O)C(O)=O
ChEBI Ontology
Outgoing Plicatic acid (CHEBI:8272) is a lignan (CHEBI:25036)
Synonym Source
Plicatic acid KEGG COMPOUND
Manual Xrefs Databases
C00000634 KNApSAcK
C10873 KEGG COMPOUND
View more database links
Registry Number Type Source
16462-65-0 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014