| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:22 UTC |
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| Update Date | 2025-03-21 18:34:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00101428 |
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| Frequency | 26.9 |
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| Structure | |
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| Chemical Formula | C4H5N3O2 |
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| Molecular Mass | 127.0382 |
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| SMILES | NC(=O)c1c[nH][nH]c1=O |
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| InChI Key | KRNXUXJJPNCQNB-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 compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsprimary carboxylic acid amidespyrazolesvinylogous amides |
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| Substituents | primary carboxylic acid amidevinylogous amidelactamaromatic heteromonocyclic compoundazacycleheteroaromatic compoundcarboxamide groupcarboxylic acid derivativepyrazoleorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundazolepyrazolinone |
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