| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:01 UTC |
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| Update Date | 2025-03-25 00:48:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02167121 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13NO3 |
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| Molecular Mass | 207.0895 |
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| SMILES | CC(C(=O)O)=C(O)NCc1ccccc1 |
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| InChI Key | SIVOQIAQANBEEP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkanolaminesamino acidscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsvinylogous acidsvinylogous amides |
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| Substituents | vinylogous amidesecondary aliphatic aminemonocyclic benzene moietycarbonyl groupcarboxylic acidamino acid or derivativesamino acidsecondary aminecarboxylic acid derivativearomatic homomonocyclic compoundvinylogous acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundaminealkanolamine |
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