| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:20 UTC |
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| Update Date | 2025-03-25 00:51:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02190647 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H7NO2 |
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| Molecular Mass | 149.0477 |
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| SMILES | C=CC(=O)c1ccc(=O)[nH]c1 |
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| InChI Key | ARUWYHXUVHAJKH-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,beta-unsaturated ketonesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyridines and derivativespyridinonesvinylogous amides |
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| Substituents | vinylogous amidelactamaromatic heteromonocyclic compoundazacycleheteroaromatic compoundalpha,beta-unsaturated ketoneorganic oxidepyridineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundpyridinoneorganoheterocyclic compoundaryl ketone |
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