| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:21 UTC |
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| Update Date | 2025-03-25 00:47:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160944 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H21NO10 |
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| Molecular Mass | 351.1165 |
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| SMILES | NC1C(O)CC(OC2CC(O)(C(=O)O)CC(O)C2O)OC1C(=O)O |
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| InChI Key | BYOUVAGNHKNVSW-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 | acetalsalpha hydroxy acids and derivativesbeta amino acids and derivativescarbonyl compoundscarboxylic acidscyclohexanolsdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidstertiary alcohols |
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| Substituents | carbonyl groupcarboxylic acidalpha-hydroxy acidcarboxylic acid derivativepyran carboxylic acidorganic oxideacetalaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundpyran carboxylic acid or derivativescyclohexanolhydroxy acidbeta amino acid or derivativesoxacycletertiary alcoholpyransecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundquinic acid |
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