| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:43:16 UTC |
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| Update Date | 2025-03-21 17:59:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00022616 |
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| Frequency | 175.1 |
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| Structure | |
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| Chemical Formula | C9H11NO |
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| Molecular Mass | 149.0841 |
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| SMILES | NCCC(=O)c1ccccc1 |
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| InChI Key | HGZXQCCQZLSOPP-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 derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | monocyclic benzene moietyaryl alkyl ketonebenzoylaromatic homomonocyclic compoundorganic oxideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundalkyl-phenylketone |
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