| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:38 UTC |
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| Update Date | 2025-03-25 00:48:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02170754 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C5H7NO3 |
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| Molecular Mass | 129.0426 |
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| SMILES | COC(=O)C=CC(N)=O |
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| InChI Key | VNVPVYUTTNLIEE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acid esters |
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| Direct Parent | fatty acid esters |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundsenoate estershydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amides |
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| Substituents | enoate esterprimary carboxylic acid amidealiphatic acyclic compoundcarbonyl groupcarboxamide groupcarboxylic acid derivativealpha,beta-unsaturated carboxylic esterfatty acid esterorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundcarboxylic acid esterorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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