| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:13 UTC |
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| Update Date | 2025-03-21 18:06:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00062675 |
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| Frequency | 49.4 |
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| Structure | |
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| Chemical Formula | C12H13NO4 |
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| Molecular Mass | 235.0845 |
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| SMILES | O=C=C(CCc1ccccc1O)NCC(=O)O |
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| InChI Key | HHVGMXLSXFXMMC-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 acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsamino acidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsynolates |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acid1-hydroxy-2-unsubstituted benzenoidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsecondary aliphatic amine1-hydroxy-4-unsubstituted benzenoidsecondary aminearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundynolatephenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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