| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:06 UTC |
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| Update Date | 2025-03-25 01:01:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249626 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H13N3O2 |
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| Molecular Mass | 231.1008 |
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| SMILES | Cc1c(CCC(=O)O)ccc2ncnc(N)c12 |
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| InChI Key | JLSVUBFTUYJLHZ-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 | quinazolinamines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdiazanaphthalenesheteroaromatic compoundshydrocarbon derivativesimidolactamsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminespyrimidines and pyrimidine derivatives |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidcarboxylic acid derivativepyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundimidolactamazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundquinazolinaminehydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compound |
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