| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 16:39:14 UTC |
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| Update Date | 2025-03-25 01:31:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02430280 |
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| Frequency | 0.5 |
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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 | CC1=CC(=O)OC1CN |
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| InChI Key | AGZSUJMPHGNOJJ-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 derivativeslactonesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | enoate estercarbonyl groupcarboxylic acid derivativelactoneoxacyclealpha,beta-unsaturated carboxylic ester2-furanoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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