| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:51:15 UTC |
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| Update Date | 2025-03-21 18:52:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00184223 |
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| Frequency | 12.4 |
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| Structure | |
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| Chemical Formula | C4H9NO |
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| Molecular Mass | 87.0684 |
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| SMILES | NCC1(O)CC1 |
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| InChI Key | JXJORHGRCCODBV-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 | tertiary alcohols |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | cyclic alcohols and derivativeshydrocarbon derivativesmonoalkylaminesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | tertiary alcoholorganonitrogen compoundaliphatic homomonocyclic compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic aminecyclopropanolorganic nitrogen compound |
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