| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:18 UTC |
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| Update Date | 2025-03-21 18:36:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00108633 |
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| Frequency | 24.7 |
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| Structure | |
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| Chemical Formula | C9H16N2O6 |
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| Molecular Mass | 248.1008 |
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| SMILES | NCC(=O)NC1C(O)CC(O)(C(=O)O)CC1O |
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| InChI Key | VZHGRDRSGIJHBB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | alcohols and polyols |
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| Direct Parent | quinic acids and derivatives |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclohexanolshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidestertiary alcohols |
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| Substituents | carbonyl groupcarboxylic acidalpha-hydroxy acidalpha-amino acid or derivativescarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalpha-amino acid amidecyclohexanolhydroxy acidcarboxamide groupsecondary carboxylic acid amidetertiary alcoholmonocarboxylic acid or derivativessecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundquinic acid |
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