| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:25 UTC |
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| Update Date | 2025-03-25 00:47:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163383 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H11NO4 |
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| Molecular Mass | 185.0688 |
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| SMILES | O=C(O)C(=O)C(=O)C1CCCCN1 |
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| InChI Key | HCKHUZDYFNMYNY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | keto acids and derivatives |
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| Subclass | beta-keto acids and derivatives |
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| Direct Parent | beta-keto acids and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha-diketonesalpha-hydroxy ketonesalpha-keto acids and derivativesamino acidsazacyclic compoundsbeta-hydroxy ketonescarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspiperidines |
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| Substituents | beta-hydroxy ketonecarbonyl groupcarboxylic acidamino acid or derivativesamino acidalpha-hydroxy ketonecarboxylic acid derivativebeta-keto acidketoneorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-keto acidorganopnictogen compoundpiperidineorganoheterocyclic compoundsecondary aliphatic amineazacyclesecondary aminealpha-diketonemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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