| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 06:50:40 UTC |
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| Update Date | 2025-03-24 17:59:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01035845 |
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| Frequency | 1.3 |
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| Structure | |
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| Chemical Formula | C8H9NO |
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| Molecular Mass | 135.0684 |
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| SMILES | CC=CC(=O)c1ccc[nH]1 |
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| InChI Key | ZNNKCFWLKNVAED-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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