| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:30:55 UTC |
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| Update Date | 2025-03-24 21:40:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01850777 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C8H9O2+ |
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| Molecular Mass | 137.0597 |
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| SMILES | CCC(=O)c1ccc[o+]c1 |
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| InChI Key | WKINBZHKAZXHQJ-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 | heteroaromatic compoundshydrocarbon derivativesorganic cationsorganic oxidesorganooxygen compoundsoxacyclic compounds |
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| Substituents | aryl alkyl ketonearomatic heteromonocyclic compoundheteroaromatic compoundoxacycleorganic oxidehydrocarbon derivativeorganic cationorganoheterocyclic compound |
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