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CHEBI:9928 - Valtratum

ChEBI IDCHEBI:9928
ChEBI NameValtratum
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC22H30O8
Net Charge0
Average Mass422.474
Monoisotopic Mass422.19407
SMILES[H][C@]12C(=C[C@H](OC(=O)CC(C)C)[C@]13CO3)C(COC(C)=O)=CO[C@H]2OC(=O)CC(C)C
InChIInChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1
InChIKeyBDIAUFOIMFAIPU-KVJIRVJXSA-N
ChEBI Ontology
Outgoing Relation(s)
Valtratum (CHEBI:9928) is a fatty acid ester (CHEBI:35748)
Synonyms  Source
ValtrateKEGG COMPOUND
ValtratumKEGG COMPOUND
Manual XrefsDatabases
C00003101KNApSAcK
C09801KEGG COMPOUND
Registry NumbersSources
CAS:18296-44-1KEGG COMPOUND