| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:39 UTC |
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| Update Date | 2025-03-21 18:02:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00037740 |
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| Frequency | 93.1 |
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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)c1ccccc1N |
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| InChI Key | YYALDNAKIAIDCL-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 aminesvinylogous amides |
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| Substituents | vinylogous amidecarbonyl groupbenzoylalpha-diketoneketonephenylpropanearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compoundaryl ketone |
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