| 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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