| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:31:25 UTC |
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| Update Date | 2025-03-21 18:42:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00137304 |
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| Frequency | 26.2 |
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| Structure | |
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| Chemical Formula | C7H7NO2 |
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| Molecular Mass | 137.0477 |
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| SMILES | CC(=O)c1c[nH]ccc1=O |
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| InChI Key | SQMXUZSEOQCHCH-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 alkyl ketones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscyclic ketonesheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsvinylogous amides |
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| Substituents | vinylogous amidearyl alkyl ketonearomatic heteromonocyclic compoundazacycleheteroaromatic compoundmethylpyridinecyclic ketoneorganic oxidepyridineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compound |
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