| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:12 UTC |
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| Update Date | 2025-03-21 18:02:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00039033 |
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| Frequency | 89.3 |
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| Structure | |
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| Chemical Formula | C8H9NO |
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| Molecular Mass | 135.0684 |
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| SMILES | CC(=O)c1cccc(N)c1 |
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| InChI Key | CKQHAYFOPRIUOM-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 | acetophenonesaryl alkyl ketonesbenzoyl derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary amines |
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| Substituents | monocyclic benzene moietyaryl alkyl ketonebenzoylaromatic homomonocyclic compoundorganic oxideorganonitrogen compoundacetophenoneorganopnictogen compoundhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundaminealkyl-phenylketone |
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