| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 10:35:12 UTC |
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| Update Date | 2025-03-24 20:49:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01575252 |
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| Frequency | 0.8 |
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| Structure | |
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| Chemical Formula | C8H11NO |
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| Molecular Mass | 137.0841 |
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| SMILES | CC(C)C(=O)c1cc[nH]c1 |
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| InChI Key | CISISIHSPFXNGV-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 compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrolesvinylogous amides |
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| Substituents | vinylogous amidearyl alkyl ketonearomatic heteromonocyclic compoundazacycleheteroaromatic compoundorganic oxidepyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compound |
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