| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:56 UTC |
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| Update Date | 2025-03-25 00:52:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02191954 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H22N2O8 |
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| Molecular Mass | 334.1376 |
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| SMILES | CC(=O)NC1C(O)CC(O)(C(=O)O)CC1C(=O)C(N)C(O)CO |
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| InChI Key | KLESSQGXRTXYJZ-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 | acetamidesalpha hydroxy acids and derivativesbeta-hydroxy ketonescarboxylic acidscyclic alcohols and derivativescyclohexanolshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary alcoholssecondary carboxylic acid amidestertiary alcohols |
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| Substituents | beta-hydroxy ketonecarbonyl groupcarboxylic acidalpha-hydroxy acidcarboxylic acid derivativeketoneorganic oxideorganonitrogen compoundorganopnictogen compoundprimary alcoholacetamidecyclohexanolhydroxy acidcarboxamide groupsecondary carboxylic acid amidetertiary alcoholmonocarboxylic acid or derivativessecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundquinic acid |
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