| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:09 UTC |
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| Update Date | 2025-03-21 18:05:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00060173 |
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| Frequency | 52.1 |
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| Structure | |
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| Chemical Formula | C9H9NO5S |
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| Molecular Mass | 243.0201 |
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| SMILES | O=C(O)C1Cc2c(cc(O)cc2S(=O)O)N1 |
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| InChI Key | JFCDOCYNBZGGMX-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-2-unsubstituted benzenoidsalpha amino acidsamino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesindolesindolinesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsorganosulfur compoundssecondary alkylarylaminessulfinic acids |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidindolesulfinic acid derivative1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativesulfinic acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compounddihydroindoleazacyclesecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesorganic oxygen compoundindolecarboxylic acidhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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