| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:26 UTC |
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| Update Date | 2025-03-25 00:55:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02213939 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H17NO4 |
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| Molecular Mass | 251.1158 |
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| SMILES | CCN(CC)CC(=O)Oc1ccc(C(=O)O)cc1 |
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| InChI Key | ZSZWVNICQAVERX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsphenol estersphenoxy compoundstrialkylamines |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acidbenzoylorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundbenzoic acidtertiary aminealpha-amino acid estertertiary aliphatic aminebenzoic acid or derivativesaromatic homomonocyclic compoundorganic oxygen compoundcarboxylic acid esterphenol esterdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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