| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:41 UTC |
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| Update Date | 2025-03-25 00:59:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02239379 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H7NO3 |
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| Molecular Mass | 165.0426 |
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| SMILES | Cn1ccc(=O)c(C(=O)C=O)c1 |
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| InChI Key | UVDABBIHGKPEOH-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 | aryl ketones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha ketoaldehydesazacyclic compoundscyclic ketonesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyridines and derivativesvinylogous amides |
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| Substituents | vinylogous amidearomatic heteromonocyclic compoundazacycleheteroaromatic compoundaldehydecyclic ketoneorganic oxidepyridineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundalpha-ketoaldehydeorganoheterocyclic compoundaryl ketone |
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