| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:57 UTC |
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| Update Date | 2025-03-21 18:40:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00131700 |
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| Frequency | 19.2 |
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| Structure | |
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| Chemical Formula | C9H9NO3 |
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| Molecular Mass | 179.0582 |
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| SMILES | Nc1ccccc1C(=O)C(=O)CO |
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| InChI Key | GKXZPBYEUDQTLQ-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 | benzoyl derivatives |
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| Direct Parent | benzoyl derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alcohols and polyolsalpha-diketonesalpha-hydroxy ketonesaryl ketonesbeta-hydroxy ketoneshydrocarbon derivativesorganic oxidesorganopnictogen compoundsprimary aminesvinylogous amides |
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| Substituents | alcoholbeta-hydroxy ketonevinylogous amidecarbonyl groupbenzoylalpha-hydroxy ketonealpha-diketoneketonearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compoundaryl ketone |
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