| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:10 UTC |
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| Update Date | 2025-03-25 00:51:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02190293 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H9NO2 |
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| Molecular Mass | 163.0633 |
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| SMILES | CC(=O)C(=O)c1cccc(N)c1 |
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| InChI Key | CZDLJPAUPPPXEU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | phenylpropanes |
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| Direct Parent | phenylpropanes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha-diketonesaryl ketonesbenzoyl derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsprimary amines |
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| Substituents | carbonyl groupbenzoylalpha-diketoneketonephenylpropanearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compoundaryl ketone |
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