| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:36 UTC |
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| Update Date | 2025-03-21 18:01:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00035180 |
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| Frequency | 130.5 |
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| Structure | |
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| Chemical Formula | C8H17NO3 |
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| Molecular Mass | 175.1208 |
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| SMILES | CCCC(O)CC(O)=NCCO |
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| InChI Key | XVVDETFNMYSCGH-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 | secondary alcohols |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkanolaminescarboximidic acidshydrocarbon derivativesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | aliphatic acyclic compoundcarboximidic acidorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundalkanolamine |
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