| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:42 UTC |
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| Update Date | 2025-03-21 18:31:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00087698 |
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| Frequency | 50.0 |
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| Structure | |
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| Chemical Formula | C9H11N3 |
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| Molecular Mass | 161.0953 |
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| SMILES | NCCc1n[nH]c2ccccc12 |
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| InChI Key | YTADWSDGULTVBB-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 | azacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesorganonitrogen compoundsorganopnictogen compoundspyrazoles |
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| Substituents | azacycleindazoleheteroaromatic compoundpyrazolearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundbenzopyrazoleazole |
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