| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:30 UTC |
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| Update Date | 2025-03-21 18:40:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00128265 |
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| Frequency | 19.9 |
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| Structure | |
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| Chemical Formula | C9H12N2O2 |
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| Molecular Mass | 180.0899 |
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| SMILES | CN1C(=O)C(O)CC1c1ccc[nH]1 |
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| InChI Key | PVXWJVAPUQGSBS-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 | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsn-alkylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary alcoholstertiary carboxylic acid amides |
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| Substituents | alcohol2-pyrrolidonecarbonyl grouplactamaromatic heteromonocyclic compoundazacyclen-alkylpyrrolidineheteroaromatic compoundcarboxamide groupcarboxylic acid derivativeorganic oxideorganic oxygen compoundtertiary carboxylic acid amidepyrroleorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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