| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:17 UTC |
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| Update Date | 2025-03-21 18:34:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00101220 |
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| Frequency | 27.0 |
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| Structure | |
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| Chemical Formula | C9H11NO2 |
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| Molecular Mass | 165.079 |
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| SMILES | CNCC(=O)c1ccccc1O |
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| InChI Key | WLVAAPHFZADSID-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaryl alkyl ketonesbenzoyl derivativesdialkylamineshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsvinylogous acids |
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| Substituents | secondary aliphatic aminemonocyclic benzene moietyaryl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidsecondary aminearomatic homomonocyclic compoundvinylogous acidorganic oxideorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundalkyl-phenylketoneamine |
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