| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:06 UTC |
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| Update Date | 2025-03-25 00:45:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151372 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H9NO2 |
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| Molecular Mass | 151.0633 |
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| SMILES | N#CC1(C(=O)O)C=CCCC1 |
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| InChI Key | XLGZXHKYOJYSPP-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 | carboxylic acids and derivatives |
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| Subclass | carboxylic acids |
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| Direct Parent | carboxylic acids |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carbonyl groupnitrilecarboxylic acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundaliphatic homomonocyclic compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrileorganooxygen compound |
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