| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 11:31:33 UTC |
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| Update Date | 2025-03-24 21:13:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01709755 |
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| Frequency | 0.7 |
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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 | Cc1cc2c([nH]1)CCC2=O |
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| InChI Key | HSXOQMBCBQOJLY-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 heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrolesvinylogous amides |
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| Substituents | vinylogous amidearyl alkyl ketoneazacycleheteroaromatic compoundorganic oxidearomatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compound |
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