| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:29 UTC |
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| Update Date | 2025-03-25 00:49:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02172702 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H23NO12 |
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| Molecular Mass | 409.122 |
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| SMILES | CC(=O)NC1C(O)CC(OC2CC(O)(C(=O)O)CC(O)C2O)(C(=O)O)OC1O |
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| InChI Key | UZZQFRRBPCHLNQ-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 heteromonocyclic compounds |
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| Alternative Parents | acetamidesalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclohexanolsdicarboxylic acids and derivativeshemiacetalshydrocarbon derivativesketalsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary carboxylic acid amidestertiary alcohols |
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| Substituents | carbonyl groupcarboxylic acidalpha-hydroxy acidcarboxylic acid derivativepyran carboxylic acidorganic oxideacetalketalaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetaloxaneorganoheterocyclic compoundacetamidepyran carboxylic acid or derivativescyclohexanolhydroxy acidcarboxamide groupoxacyclesecondary carboxylic acid amidetertiary alcoholpyransecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundquinic acid |
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