| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:22:40 UTC |
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| Update Date | 2025-03-25 00:40:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02115672 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C7H7NO2 |
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| Molecular Mass | 137.0477 |
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| SMILES | CC1=C(C#N)C(C)OC1=O |
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| InChI Key | LMURHMVCMNAWCW-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | dihydrofurans |
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| Subclass | furanones |
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| Direct Parent | butenolides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundsdihydrofuransenoate estershydrocarbon derivativeslactonesmonocarboxylic acids and derivativesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | enoate estercarbonyl groupnitrilecarboxylic acid derivativelactoneoxacyclealpha,beta-unsaturated carboxylic ester2-furanoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrileorganooxygen compound |
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