| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 02:05:07 UTC |
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| Update Date | 2025-03-21 20:46:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00355143 |
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| Frequency | 5.3 |
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| Structure | |
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| Chemical Formula | C5H5NO2 |
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| Molecular Mass | 111.032 |
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| SMILES | O=C(O)C1=NC=CC1 |
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| InChI Key | WZBWQKBWLKHBNC-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic nitrogen compounds |
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| Class | organonitrogen compounds |
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| Subclass | imines |
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| Direct Parent | ketimines |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | ketiminecarbonyl groupcarboxylic acidazacycleorganic 1,3-dipolar compoundcarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic heteromonocyclic compoundorganopnictogen compoundhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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