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CHEBI:175765 - 11-Deacetylvaltrate 11-(3-hydroxy-3-methylbutanoate)

ChEBI IDCHEBI:175765
ChEBI Name11-Deacetylvaltrate 11-(3-hydroxy-3-methylbutanoate)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H36O9
Net Charge0
Average Mass480.554
Monoisotopic Mass480.23593
SMILESCC(C)CC(=O)OC1OC=C(COC(=O)CC(C)(C)O)C2=CC(OC(=O)CC(C)C)C3(CO3)C21
InChIInChI=1S/C25H36O9/c1-14(2)7-19(26)33-18-9-17-16(11-30-21(28)10-24(5,6)29)12-31-23(22(17)25(18)13-32-25)34-20(27)8-15(3)4/h9,12,14-15,18,22-23,29H,7-8,10-11,13H2,1-6H3
InChIKeyQHYRSOLVOPZTHU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
11-Deacetylvaltrate 11-(3-hydroxy-3-methylbutanoate) (CHEBI:175765) is a iridoid monoterpenoid (CHEBI:50563)
IUPAC Name 
[1,6-bis(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-4-yl]methyl 3-hydroxy-3-methylbutanoate
Manual XrefsDatabases
35013651ChemSpider
HMDB0033654HMDB