| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:16 UTC |
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| Update Date | 2025-03-25 00:56:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218135 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H18N4O2S |
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| Molecular Mass | 306.115 |
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| SMILES | Cc1cc2nc(SCCC(N)C(=O)O)nc(N)c2cc1C |
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| InChI Key | PKPNVSGQXBMDDS-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 | alkylarylthioethersalpha amino acidsamino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdiazanaphthalenesfatty acylsheteroaromatic compoundshydrocarbon derivativesimidolactamsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspyrimidines and pyrimidine derivativessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acid or derivativesamino acidalpha-amino acid or derivativesalkylarylthioetherorganosulfur compoundcarboxylic acid derivativearyl thioetherpyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactamsulfenyl compoundazacycleheteroaromatic compoundmonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioetherquinazolinaminehydrocarbon derivativebenzenoidprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compound |
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