| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 09:14:26 UTC |
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| Update Date | 2025-03-24 20:14:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01382058 |
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| Frequency | 0.9 |
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| Structure | |
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| Chemical Formula | C6H8NO2+ |
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| Molecular Mass | 126.055 |
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| SMILES | CC(=O)c1c[n+](C)co1 |
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| InChI Key | MHOJXZTZYAVLEU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | aryl alkyl ketones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganic cationsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundsoxazolesvinylogous amides |
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| Substituents | vinylogous amidearyl alkyl ketonearomatic heteromonocyclic compoundazacycleheteroaromatic compoundoxazoleoxacycleorganic oxideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganoheterocyclic compoundazole |
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