EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:175879 - Deacetylisovaltrate

ChEBI IDCHEBI:175879
ChEBI NameDeacetylisovaltrate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O7
Net Charge0
Average Mass380.437
Monoisotopic Mass380.18350
SMILESCC(C)CC(=O)OCC1=COC(OC(=O)CC(C)C)C2C1=CC(O)C21CO1
InChIInChI=1S/C20H28O7/c1-11(2)5-16(22)24-8-13-9-25-19(27-17(23)6-12(3)4)18-14(13)7-15(21)20(18)10-26-20/h7,9,11-12,15,18-19,21H,5-6,8,10H2,1-4H3
InChIKeyXIQPIDYOUNZVOS-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Deacetylisovaltrate (CHEBI:175879) is a iridoid monoterpenoid (CHEBI:50563)
IUPAC Name 
[6-hydroxy-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-4-yl]methyl 3-methylbutanoate
Manual XrefsDatabases
HMDB0035840HMDB
35014031ChemSpider