| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:42 UTC |
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| Update Date | 2025-03-25 01:02:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253241 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H13NO4 |
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| Molecular Mass | 259.0845 |
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| SMILES | O=C(O)C1CC=CN1C(=O)C=Cc1ccc(O)cc1 |
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| InChI Key | IXZBCTZICBQWFS-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 | cinnamic acids and derivatives |
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| Subclass | hydroxycinnamic acids and derivatives |
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| Direct Parent | hydroxycinnamic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolinestertiary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativescarboxylic acid derivativeorganic oxidetertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacyclecarboxamide grouphydroxycinnamic acidmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolinephenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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