| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:53 UTC |
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| Update Date | 2025-03-21 18:36:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00110080 |
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| Frequency | 24.3 |
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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 | COc1ccc2n[nH]c(CCNC(C)=O)c2c1 |
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| InChI Key | OBCMETFUXVPCLT-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 | benzopyrazoles |
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| Subclass | indazoles |
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| Direct Parent | indazoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetamidesalkyl aryl ethersanisolesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrazolessecondary carboxylic acid amides |
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| Substituents | phenol ethercarbonyl groupetheralkyl aryl ethercarboxylic acid derivativepyrazoleorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundacetamideazoleazacycleindazoleheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundbenzopyrazoleorganooxygen compound |
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