| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 13:59:41 UTC |
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| Update Date | 2025-03-25 00:31:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02061394 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C5H6ClN3 |
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| Molecular Mass | 143.025 |
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| SMILES | CNc1nccc(Cl)n1 |
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| InChI Key | UKLSJMPZHKFSQJ-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 | diazines |
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| Subclass | pyrimidines and pyrimidine derivatives |
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| Direct Parent | halopyrimidines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aryl chloridesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganochloridesorganopnictogen compoundssecondary alkylarylamines |
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| Substituents | aryl chloridearomatic heteromonocyclic compoundazacycleorganochlorideheteroaromatic compoundsecondary aminehalopyrimidineorganohalogen compoundsecondary aliphatic/aromatic aminearyl halideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundamine |
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