| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:35 UTC |
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| Update Date | 2025-03-21 18:38:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00119044 |
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| Frequency | 21.9 |
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| Structure | |
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| Chemical Formula | C9H17NO5 |
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| Molecular Mass | 219.1107 |
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| SMILES | CN(C)C1C(O)CC(O)(C(=O)O)CC1O |
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| InChI Key | QMCQGBKWQJYFIS-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 | 1,2-aminoalcoholsalpha hydroxy acids and derivativesamino acidsaminocyclitols and derivativescarbonyl compoundscarboxylic acidscyclohexanolscyclohexylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundstertiary alcoholstrialkylamines |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidalpha-hydroxy acidcyclohexylaminecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundtertiary amineaminocyclitol or derivatives1,2-aminoalcoholtertiary aliphatic aminecyclohexanolhydroxy acidtertiary alcoholmonocarboxylic acid or derivativessecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativeorganic nitrogen compoundaminequinic acid |
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