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CHEBI:8416 - Pristimerin

ChEBI IDCHEBI:8416
ChEBI NamePristimerin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC30H40O4
Net Charge0
Average Mass464.646
Monoisotopic Mass464.29266
SMILES[H][C@@]12C[C@](C)(C(=O)OC)CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(=CC(=O)C(O)=C4C)[C@]3(C)CC[C@@]21C
InChIInChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1
InChIKeyJFACETXYABVHFD-WXPPGMDDSA-N
ChEBI Ontology
Outgoing Relation(s)
Pristimerin (CHEBI:8416) is a carboxylic ester (CHEBI:33308)
Synonym  Source
PristimerinKEGG COMPOUND
Manual XrefsDatabases
C00003753KNApSAcK
C08633KEGG COMPOUND
Registry NumbersSources
CAS:1258-84-0KEGG COMPOUND