| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:56 UTC |
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| Update Date | 2025-03-25 00:50:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182912 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H9BrN2O2 |
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| Molecular Mass | 279.9847 |
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| SMILES | O=c1ccn(Cc2ccc(Br)cc2)c(=O)[nH]1 |
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| InChI Key | URBCDPQIDCCJSI-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 | pyrimidones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aryl bromidesazacyclic compoundsbromobenzenesheteroaromatic compoundshydrocarbon derivativeslactamsorganic carbonic acids and derivativesorganic oxidesorganobromidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsvinylogous amides |
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| Substituents | monocyclic benzene moietylactamaromatic heteromonocyclic compoundpyrimidoneorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compoundvinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundbromobenzenearyl halideorganic oxygen compoundorganobromidehydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenearyl bromideorganooxygen compound |
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