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CHEBI:6449 - Liatrin

ChEBI IDCHEBI:6449
ChEBI NameLiatrin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC22H26O8
Net Charge0
Average Mass418.442
Monoisotopic Mass418.16277
SMILES[H][C@@]12/C=C(/C)[C@@]3(O)C=C[C@@](C)(C[C@@H](OC(=O)/C(=C\C)COC(C)=O)[C@@]1([H])C(=C)C(=O)O2)O3
InChIInChI=1S/C22H26O8/c1-6-15(11-27-14(4)23)20(25)29-17-10-21(5)7-8-22(26,30-21)12(2)9-16-18(17)13(3)19(24)28-16/h6-9,16-18,26H,3,10-11H2,1-2,4-5H3/b12-9-,15-6-/t16-,17-,18+,21+,22-/m1/s1
InChIKeyPVBVYSOUXOHMEA-ACUBEUJWSA-N
ChEBI Ontology
Outgoing Relation(s)
Liatrin (CHEBI:6449) is a fatty acid ester (CHEBI:35748)
Synonym  Source
LiatrinKEGG COMPOUND
Manual XrefsDatabases
C00003315KNApSAcK
C09493KEGG COMPOUND
Registry NumbersSources
CAS:34175-79-6KEGG COMPOUND