| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:37 UTC |
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| Update Date | 2025-03-21 18:39:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00123741 |
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| Frequency | 20.8 |
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| Structure | |
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| Chemical Formula | C8H13N3O |
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| Molecular Mass | 167.1059 |
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| SMILES | CC(=O)NCCc1cnn(C)c1 |
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| InChI Key | PBKYVZFZDUQVHH-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 | azoles |
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| Subclass | pyrazoles |
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| Direct Parent | pyrazoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | carbonyl grouparomatic heteromonocyclic compoundazacycleheteroaromatic compoundcarboxamide groupcarboxylic acid derivativepyrazolesecondary carboxylic acid amideorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundacetamideorganooxygen compound |
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