Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 14:40:21 UTC |
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Update Date | 2025-03-25 00:46:41 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID02156605 |
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Frequency | 0.5 |
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Structure | |
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Chemical Formula | C8H9NO3 |
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Molecular Mass | 167.0582 |
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SMILES | O=C1CC2C=CC(C(=O)O)C2N1 |
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InChI Key | QYVFGXQWPACUBP-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 | pyrrolidines |
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Subclass | pyrrolidones |
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Direct Parent | pyrrolidine-2-ones |
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Geometric Descriptor | aliphatic heteropolycyclic compounds |
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Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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Substituents | 2-pyrrolidonecarbonyl grouplactamcarboxylic acidazacyclecarboxamide groupcarboxylic acid derivativealiphatic heteropolycyclic compoundsecondary carboxylic acid amideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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