| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:23:14 UTC |
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| Update Date | 2025-03-25 01:02:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02254431 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H17NO3 |
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| Molecular Mass | 223.1208 |
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| SMILES | CC(C)(CO)C(O)C(=O)c1ccccc1N |
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| InChI Key | YGAHCIRCWZGSCT-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 | acyloinsaryl alkyl ketonesbenzoyl derivativesbutyrophenoneshydrocarbon derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsprimary aminessecondary alcoholsvinylogous amides |
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| Substituents | monocyclic benzene moietyaryl alkyl ketonebenzoylmonosaccharidesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundalcoholvinylogous amidebutyrophenonearomatic homomonocyclic compoundacyloinsecondary alcoholhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundaminealkyl-phenylketone |
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