| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:36 UTC |
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| Update Date | 2025-03-25 00:53:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202622 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H16N2O4 |
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| Molecular Mass | 312.111 |
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| SMILES | O=C(O)c1cccc(CN2C(=O)C(O)CC2c2cccnc2)c1 |
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| InChI Key | HIRBUUGXNOQPGY-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 | pyridines and derivatives |
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| Subclass | pyrrolidinylpyridines |
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| Direct Parent | pyrrolidinylpyridines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkaloids and derivativesazacyclic compoundsbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactamsmonocarboxylic acids and derivativesn-alkylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolidine-2-onessecondary alcoholstertiary carboxylic acid amides |
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| Substituents | 2-pyrrolidonemonocyclic benzene moietycarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundpyrrolidinylpyridinebenzoylcarboxylic acid derivativeorganic oxidetertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundbenzoic acidpyrrolidinepyrrolidonealcoholazacyclen-alkylpyrrolidineheteroaromatic compoundhydroxypyridinebenzoic acid or derivativescarboxamide groupmonocarboxylic acid or derivativesalkaloid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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