| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:03 UTC |
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| Update Date | 2025-03-25 00:59:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237935 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H9NO6 |
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| Molecular Mass | 203.043 |
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| SMILES | O=C(O)CCC(=NO)C(=O)CC(=O)O |
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| InChI Key | VKOCUPMLEFJTQN-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 | medium-chain keto acids and derivatives |
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| Direct Parent | medium-chain keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | amino fatty acidsbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsdicarboxylic acids and derivativesfatty acylshydrocarbon derivativesketoximesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidketoximecarboxylic acid derivativeamino fatty acidbeta-keto acidketoneorganic oxideorganic oxygen compoundorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundmedium-chain keto acid |
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