CHEBI:7891 - Paeonolide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Paeonolide
ChEBI ID CHEBI:7891
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H28O12
Net Charge 0
Average Mass 460.430
Monoisotopic Mass 460.15808
InChI InChI=1S/C20H28O12/c1-8(21)10-4-3-9(28-2)5-12(10)31-20-18(27)16(25)15(24)13(32-20)7-30-19-17(26)14(23)11(22)6-29-19/h3-5,11,13-20,22-27H,6-7H2,1-2H3/t11-,13+,14-,15+,16-,17+,18+,19-,20+/m0/s1
InChIKey IDZZECHGWAZTIB-NYBIBFQCSA-N
SMILES COc1ccc(C(C)=O)c(O[C@@H]2O[C@H](CO[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c1
ChEBI Ontology
Outgoing Paeonolide (CHEBI:7891) is a glycoside (CHEBI:24400)
Synonym Source
Paeonolide KEGG COMPOUND
Manual Xrefs Databases
C00002705 KNApSAcK
C10715 KEGG COMPOUND
View more database links
Registry Number Type Source
72520-92-4 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014