| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 01:24:50 UTC |
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| Update Date | 2025-03-21 19:14:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00261741 |
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| Frequency | 7.9 |
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| Structure | |
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| Chemical Formula | C7H7NO |
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| Molecular Mass | 121.0528 |
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| SMILES | C=CC(=O)c1ccc[nH]1 |
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| InChI Key | SXROUBQUPINISW-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 derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrroles |
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| Substituents | aromatic heteromonocyclic compoundazacycleheteroaromatic compoundalpha,beta-unsaturated ketoneorganic oxidepyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundaryl ketone |
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