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CHEBI:228964 - 2-(1-Ethoxy-2-hydroxy)propyl-4-methoxyphenol-2-methyl-butyrate

ChEBI IDCHEBI:228964
ChEBI Name2-(1-Ethoxy-2-hydroxy)propyl-4-methoxyphenol-2-methyl-butyrate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H26O5
Net Charge0
Average Mass310.390
Monoisotopic Mass310.17802
SMILESCCOC(c1cc(OC)ccc1OC(=O)C(C)CC)C(C)O
InChIInChI=1S/C17H26O5/c1-6-11(3)17(19)22-15-9-8-13(20-5)10-14(15)16(12(4)18)21-7-2/h8-12,16,18H,6-7H2,1-5H3
InChIKeyQRJCBTSDRZWJLS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
2-(1-Ethoxy-2-hydroxy)propyl-4-methoxyphenol-2-methyl-butyrate (CHEBI:228964) is a benzoate ester (CHEBI:36054)
2-(1-Ethoxy-2-hydroxy)propyl-4-methoxyphenol-2-methyl-butyrate (CHEBI:228964) is a phenols (CHEBI:33853)
IUPAC Name 
[2-(1-ethoxy-2-hydroxypropyl)-4-methoxyphenyl] 2-methylbutanoate
Manual XrefsDatabases
4476127ChemSpider