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CHEBI:174969 - Valdiate

ChEBI IDCHEBI:174969
ChEBI NameValdiate
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SubmitterMetaboLights
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FormulaC17H26O5
Net Charge0
Average Mass310.390
Monoisotopic Mass310.17802
SMILESCC(=O)OCC1=COC(OC(=O)CC(C)C)C2C(C)CCC12
InChIInChI=1S/C17H26O5/c1-10(2)7-15(19)22-17-16-11(3)5-6-14(16)13(9-21-17)8-20-12(4)18/h9-11,14,16-17H,5-8H2,1-4H3
InChIKeyXXZPXRQPWFAXCK-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Valdiate (CHEBI:174969) is a iridoid monoterpenoid (CHEBI:50563)
IUPAC Name 
[4-(acetyloxymethyl)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl] 3-methylbutanoate
Manual XrefsDatabases
HMDB0040980HMDB
35015063ChemSpider