| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:44 UTC |
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| Update Date | 2025-03-25 00:47:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02159630 |
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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 | O=Cc1c[nH]c2c1CCC2=O |
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| InChI Key | PVPPGCAMNIJHEM-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 | aryl-aldehydesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrolesvinylogous amides |
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| Substituents | vinylogous amidearyl alkyl ketoneazacycleheteroaromatic compoundaldehydeorganic oxidearyl-aldehydearomatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compound |
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