| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:36 UTC |
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| Update Date | 2025-03-25 00:54:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02209547 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13NO4 |
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| Molecular Mass | 199.0845 |
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| SMILES | CC1=C(C=O)C(=O)NC1C(O)C(C)O |
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| InChI Key | XEJTWDIUONEIBY-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 | pyrrolines |
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| Subclass | pyrroline carboxylic acids and derivatives |
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| Direct Parent | pyrroline carboxylic acids and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsaldehydesazacyclic compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | alcoholcarbonyl grouplactamazacyclepyrroline carboxylic acid or derivativesaldehydecarboxamide groupcarboxylic acid derivativesecondary carboxylic acid amideorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound1,2-diol |
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