| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:19 UTC |
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| Update Date | 2025-03-21 18:34:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00098816 |
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| Frequency | 27.8 |
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| Structure | |
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| Chemical Formula | C12H13NO6 |
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| Molecular Mass | 267.0743 |
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| SMILES | O=C(O)CNC(=O)OC(Cc1ccccc1)C(=O)O |
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| InChI Key | IVEWRHXAVPKJAR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsbenzene and substituted derivativescarbamate esterscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarbonic acid derivativecarboxylic acid3-phenylpropanoic-acidcarbamic acid esteralpha-amino acid or derivativescarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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