| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:23 UTC |
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| Update Date | 2025-03-25 00:59:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238705 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H9NO6S |
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| Molecular Mass | 259.0151 |
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| SMILES | O=C(O)C1Cc2c(ccc(S(=O)(=O)O)c2O)N1 |
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| InChI Key | PMLKXFJPFFBVBA-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 | indoles and derivatives |
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| Subclass | indolecarboxylic acids and derivatives |
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| Direct Parent | indolecarboxylic acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-4-unsubstituted benzenoids1-sulfo,2-unsubstituted aromatic compoundsalpha amino acidsamino acidsarylsulfonic acids and derivativesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesindolesindolinesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsorganosulfonic acidssecondary alkylarylaminessulfonyls |
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| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acidamino acid or derivativesamino acidindoleorganosulfonic acidalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compounddihydroindole1-sulfo,2-unsubstituted aromatic compoundazacycle1-hydroxy-4-unsubstituted benzenoidsecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativessulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativesindolecarboxylic acidhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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