Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 01:14:11 UTC |
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Update Date | 2025-03-21 19:07:52 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00237080 |
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Frequency | 9.0 |
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Structure | |
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Chemical Formula | C5H9N3O |
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Molecular Mass | 127.0746 |
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SMILES | Cc1c(CN)[nH][nH]c1=O |
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InChI Key | MPDZNGYZTNRYEJ-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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