| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-21 00:21:22 UTC |
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| Update Date | 2025-03-21 18:37:01 UTC |
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| HMDB ID | HMDB0029234 |
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| Metabolite Identification |
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| DeepMet ID | DMID00113637 |
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| Name | N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid |
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| Frequency | 46.3 |
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| Structure | |
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| Chemical Formula | C13H13NO6 |
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| Molecular Mass | 279.0743 |
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| SMILES | O=C(O)CC(N=C(O)C=Cc1ccc(O)cc1)C(=O)O |
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| InChI Key | FKBRNPNAUOXZMQ-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsbenzene and substituted derivativescarbonyl compoundscarboximidic acidscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | carboximidic acidmonocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundaspartic acid or derivativesorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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