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

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ChEBI Name 2-(1-Ethoxy-2-hydroxy)propyl-4-methoxyphenol-2-methyl-butyrate
ChEBI ID CHEBI:228964
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H26O5
Net Charge 0
Average Mass 310.390
Monoisotopic Mass 310.17802
InChI InChI=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
InChIKey QRJCBTSDRZWJLS-UHFFFAOYSA-N
SMILES O(C(C(O)C)C1=C(OC(=O)C(CC)C)C=CC(OC)=C1)CC
Metabolite of Species Details
Zea mays (NCBI:txid4577) Found in exometabolome See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
4476127 ChemSpider
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