| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:23 UTC |
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| Update Date | 2025-03-21 18:38:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00123239 |
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| Frequency | 20.9 |
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| Structure | |
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| Chemical Formula | C7H13NO3 |
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| Molecular Mass | 159.0895 |
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| SMILES | NCC1(O)C=CC(O)C(O)C1 |
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| InChI Key | CWCRYQJSEGEZKT-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 | cyclitols and derivatives |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | hydrocarbon derivativesmonoalkylaminesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholstertiary alcohols |
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| Substituents | cyclitol or derivativestertiary alcoholorganonitrogen compoundsecondary alcoholaliphatic homomonocyclic compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound |
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