| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 08:37:45 UTC |
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| Update Date | 2025-03-25 00:21:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01294209 |
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| Frequency | 1.0 |
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| Structure | |
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| Chemical Formula | C5H8N4O |
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| Molecular Mass | 140.0698 |
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| SMILES | CNc1[nH]ncc1C(N)=O |
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| InChI Key | VVCMSNQZJQAFND-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic nitrogen compounds |
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| Class | organonitrogen compounds |
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| Subclass | amines |
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| Direct Parent | secondary alkylarylamines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acids and derivativesazacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary carboxylic acid amidespyrazolesvinylogous amides |
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| Substituents | primary carboxylic acid amidevinylogous amidearomatic heteromonocyclic compoundazacycleamino acid or derivativesheteroaromatic compoundcarboxamide groupcarboxylic acid derivativepyrazolesecondary aliphatic/aromatic amineorganic oxideorganic oxygen compoundorganopnictogen compoundhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compoundazole |
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