| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 02:40:17 UTC |
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| Update Date | 2025-03-21 21:54:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00438877 |
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| Frequency | 4.0 |
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| Structure | |
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| Chemical Formula | C4H7N3O |
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| Molecular Mass | 113.0589 |
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| SMILES | NCc1c[nH][nH]c1=O |
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| InChI Key | DJWSCDFLTBMYKM-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 | azolines |
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| Subclass | pyrazolines |
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| Direct Parent | pyrazolones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkylaminesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrazolesvinylogous amides |
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| Substituents | vinylogous amidelactamaromatic heteromonocyclic compoundazacycleheteroaromatic compoundpyrazoleorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundazolepyrazolinone |
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