| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 08:17:03 UTC |
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| Update Date | 2025-03-24 23:36:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01245038 |
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| Frequency | 1.1 |
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| Structure | |
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| Chemical Formula | C6H9NO2 |
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| Molecular Mass | 127.0633 |
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| SMILES | CCC(O)=NC(C)=C=O |
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| InChI Key | LWHWDQUWWZTINY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboximidic acids and derivatives |
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| Subclass | carboximidic acids |
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| Direct Parent | carboximidic acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | hydrocarbon 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 oxideorganic oxygen compoundynolateorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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