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CHEBI:188646 - 3-Hydroxy-3-methyl-1,2-butanediyl dioctanoate

ChEBI IDCHEBI:188646
ChEBI Name3-Hydroxy-3-methyl-1,2-butanediyl dioctanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H40O5
Net Charge0
Average Mass372.546
Monoisotopic Mass372.28757
SMILESCCCCCCCC(=O)OCC(OC(=O)CCCCCCC)C(C)(C)O
InChIInChI=1S/C21H40O5/c1-5-7-9-11-13-15-19(22)25-17-18(21(3,4)24)26-20(23)16-14-12-10-8-6-2/h18,24H,5-17H2,1-4H3
InChIKeyKRHZSXCZZKOXLQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
ChEBI Ontology
Outgoing Relation(s)
3-Hydroxy-3-methyl-1,2-butanediyl dioctanoate (CHEBI:188646) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
(3-hydroxy-3-methyl-2-octanoyloxybutyl) octanoate
Manual XrefsDatabases
58829676ChemSpider