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CHEBI:8522 - Prostalidin A

ChEBI IDCHEBI:8522
ChEBI NameProstalidin A
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC21H14O8
Net Charge0
Average Mass394.335
Monoisotopic Mass394.06887
SMILESCOc1c2c(cc3c(-c4cc5c(cc4O)OCO5)c4c(cc13)C(=O)OC4)OCO2
InChIInChI=1S/C21H14O8/c1-24-19-10-2-11-13(6-25-21(11)23)18(9(10)3-17-20(19)29-8-28-17)12-4-15-16(5-14(12)22)27-7-26-15/h2-5,22H,6-8H2,1H3
InChIKeySPDGJRPFXFRCMO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Prostalidin A (CHEBI:8522) is a lignan (CHEBI:25036)
Synonym  Source
Prostalidin AKEGG COMPOUND
Manual XrefsDatabases
C10877KEGG COMPOUND
C00000727KNApSAcK
Registry NumbersSources
CAS:73461-17-3KEGG COMPOUND