| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:05:15 UTC |
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| Update Date | 2025-03-21 18:28:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00074749 |
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| Frequency | 39.7 |
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| Structure | |
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| Chemical Formula | C11H17NO4 |
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| Molecular Mass | 227.1158 |
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| SMILES | CCCCC(O)C=CC(O)=NCC(O)=C=O |
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| InChI Key | ZMMOQTCMBJJWDB-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 derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsynolates |
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| Substituents | aliphatic acyclic compoundcarboximidic acidorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideynolateorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundalkanolamine |
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