CHEBI:182678 - 4-[2-[(2-ethyl-2,3-dihydroxybutanoyl)oxymethyl]anilino]-4-oxobutanoic acid

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 4-[2-[(2-ethyl-2,3-dihydroxybutanoyl)oxymethyl]anilino]-4-oxobutanoic acid
ChEBI ID CHEBI:182678
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C17H23NO7
Net Charge 0
Average Mass 353.371
Monoisotopic Mass 353.14745
InChI InChI=1S/C17H23NO7/c1-3-17(24,11(2)19)16(23)25-10-12-6-4-5-7-13(12)18-14(20)8-9-15(21)22/h4-7,11,19,24H,3,8-10H2,1-2H3,(H,18,20)(H,21,22)
InChIKey VDRDRMCAECTSGB-UHFFFAOYSA-N
SMILES OC(C(O)C)(CC)C(OCC=1C(NC(=O)CCC(O)=O)=CC=CC1)=O
ChEBI Ontology
Outgoing 4-[2-[(2-ethyl-2,3-dihydroxybutanoyl)oxymethyl]anilino]-4-oxobutanoic acid (CHEBI:182678) has functional parent benzyl alcohol (CHEBI:17987)
4-[2-[(2-ethyl-2,3-dihydroxybutanoyl)oxymethyl]anilino]-4-oxobutanoic acid (CHEBI:182678) is a carboxylic ester (CHEBI:33308)
IUPAC Name
4-[2-[(2-ethyl-2,3-dihydroxybutanoyl)oxymethyl]anilino]-4-oxobutanoic acid
Manual Xref Database
31014616 ChemSpider
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