| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:31 UTC |
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| Update Date | 2025-03-25 00:56:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218726 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H7IN2O2 |
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| Molecular Mass | 301.9552 |
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| SMILES | Cn1c(=O)[nH]c2ccc(I)cc2c1=O |
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| InChI Key | OTDDYXPXQOIFSY-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 | diazanaphthalenes |
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| Subclass | benzodiazines |
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| Direct Parent | quinazolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aryl iodidesazacyclic compoundsbenzenoidsdiazanaphthalenesheteroaromatic compoundshydrocarbon derivativeslactamsorganic carbonic acids and derivativesorganic oxidesorganoiodidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrimidonesvinylogous amides |
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| Substituents | vinylogous amidecarbonic acid derivativelactamazacycleheteroaromatic compoundpyrimidoneorganohalogen compoundpyrimidineorganoiodidearyl halideorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidaryl iodideorganic nitrogen compoundquinazolineorganooxygen compound |
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