| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:14 UTC |
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| Update Date | 2025-03-25 00:50:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183582 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H11NO3 |
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| Molecular Mass | 217.0739 |
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| SMILES | O=C1NCCC1=Cc1ccc(C(=O)O)cc1 |
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| InChI Key | RWOHVEPZCFHCQL-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 | benzoic acids and derivatives |
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| Direct Parent | benzoic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzoyl derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolidine-2-onessecondary carboxylic acid amides |
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| Substituents | 2-pyrrolidonecarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundbenzoylcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundbenzoic acidpyrrolidinepyrrolidoneorganoheterocyclic compoundazacyclecarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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