| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:20 UTC |
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| Update Date | 2025-03-21 18:39:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00125450 |
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| Frequency | 27.1 |
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| Structure | |
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| Chemical Formula | C12H15N3O2 |
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| Molecular Mass | 233.1164 |
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| SMILES | COc1ccc2nc(CCNC(C)=O)[nH]c2c1 |
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| InChI Key | SOMOKXPMHVXJIP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | benzimidazoles |
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| Subclass | benzimidazoles |
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| Direct Parent | benzimidazoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetamidesalkyl aryl ethersanisolesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | phenol ethercarbonyl groupetheralkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundbenzimidazoleimidazoleorganonitrogen compoundorganopnictogen compoundacetamideazoleazacycleheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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