| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 08:57:40 UTC |
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| Update Date | 2025-03-24 20:06:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01341913 |
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| Frequency | 1.0 |
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| Structure | |
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| Chemical Formula | C6H5N3O |
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| Molecular Mass | 135.0433 |
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| SMILES | Oc1cccc2[nH]nnc12 |
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| InChI Key | JMTMSDXUXJISAY-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 | benzotriazoles |
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| Subclass | benzotriazoles |
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| Direct Parent | benzotriazoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundstriazoles |
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| Substituents | triazoleazacycleheteroaromatic compound1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compound1,2,3-triazolebenzotriazoleorganooxygen compoundazole |
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