| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:36 UTC |
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| Update Date | 2025-03-25 01:01:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248470 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12N2O3S |
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| Molecular Mass | 264.0569 |
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| SMILES | Cn1c(SCCC(=O)O)nc2ccccc2c1=O |
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| InChI Key | BDQGTMMMIXVWEY-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 | alkylarylthioethersazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdiazanaphthalenesheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrimidonessulfenyl compounds |
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| Substituents | carbonyl grouplactamcarboxylic acidpyrimidonealkylarylthioetherorganosulfur compoundcarboxylic acid derivativearyl thioetherpyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundsulfenyl compoundazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativebenzenoidorganic nitrogen compoundquinazolineorganooxygen compound |
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