| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:43 UTC |
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| Update Date | 2025-03-21 18:36:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00112111 |
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| Frequency | 23.7 |
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| Structure | |
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| Chemical Formula | C21H25N5O7S |
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| Molecular Mass | 491.1475 |
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| SMILES | Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C3OC(CSCCC(N)C(=O)O)C(O)C3O)c2cc1C |
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| InChI Key | OZMRLNWPGHNUCY-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 | pteridines and derivatives |
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| Subclass | alloxazines and isoalloxazines |
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| Direct Parent | flavins |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diolsalpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdialkylthioethersdiazanaphthalenesfatty acylsheteroaromatic compoundshydrocarbon derivativeshydroxy fatty acidslactamsmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrazinespyrimidonesquinoxalinessecondary alcoholssulfenyl compoundstetrahydrofuransthia fatty acids |
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| Substituents | fatty acylcarbonyl grouplactamcarboxylic acidmonosaccharidepyrimidonealpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativeflavinpyrimidinesaccharideorganic oxidediazanaphthalenearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acid1,2-diolalcoholquinoxalinecarbonic acid derivativesulfenyl compoundazacycletetrahydrofurandialkylthioetherheteroaromatic compoundoxacyclemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioetherpyrazinesecondary alcoholhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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