| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:49 UTC |
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| Update Date | 2025-03-25 00:48:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166637 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H22N2O8 |
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| Molecular Mass | 346.1376 |
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| SMILES | CC(=O)NCCC(=O)OC1CC(O)(C(=O)O)CC(O)C1NC(C)=O |
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| InChI Key | AKHOHFSPVPBDPP-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 amino acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidscyclohexanolsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidestertiary alcohols |
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| Substituents | carbonyl groupcarboxylic acidalpha-hydroxy acidcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundacetamidecyclohexanolhydroxy acidcarboxamide groupbeta amino acid or derivativessecondary carboxylic acid amidetertiary alcoholcarboxylic acid estersecondary alcoholaliphatic homomonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundquinic acid |
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