| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:43 UTC |
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| Update Date | 2025-03-21 18:03:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00045106 |
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| Frequency | 132.6 |
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| Structure | |
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| Chemical Formula | C13H13NO4 |
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| Molecular Mass | 247.0845 |
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| SMILES | O=C(O)CCc1c2[nH]c(c1CC(=O)O)C=CC=C2 |
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| InChI Key | PIIQYVWPKCGMKQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | azepines |
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| Subclass | azepines |
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| Direct Parent | azepines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | carbonyl groupcarboxylic acidazacycleheteroaromatic compoundcarboxylic acid derivativeorganic oxideorganic oxygen compoundazepinearomatic heteropolycyclic compoundpyrroleorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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