| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 16:20:54 UTC |
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| Update Date | 2025-03-25 01:24:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02387398 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H7NO+ |
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| Molecular Mass | 133.0522 |
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| SMILES | [N+]CC(=O)c1ccccc1 |
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| InChI Key | HUTKXUDOXRMQEZ-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 | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aryl alkyl ketonesbenzoyl derivativeshydrocarbon derivativesorganic cationsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | monocyclic benzene moietyaryl alkyl ketonebenzoylaromatic homomonocyclic compoundorganic oxideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic cationalkyl-phenylketone |
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