| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 04:01:27 UTC |
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| Update Date | 2025-03-21 23:05:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00630685 |
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| Frequency | 2.5 |
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| Structure | |
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| Chemical Formula | C6H9N3O |
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| Molecular Mass | 139.0746 |
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| SMILES | NCCc1cc(C=O)n[nH]1 |
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| InChI Key | MTBSVMBGGZSONC-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-aldehydes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrazoles |
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| Substituents | aromatic heteromonocyclic compoundazacycleheteroaromatic compoundpyrazoleorganic oxidearyl-aldehydeorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganoheterocyclic compoundazole |
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