| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:44 UTC |
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| Update Date | 2025-03-25 01:02:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253317 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H9NO6S2 |
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| Molecular Mass | 290.9871 |
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| SMILES | O=C(O)C1Cc2c(cc(S(=O)O)cc2S(=O)O)N1 |
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| InChI Key | ZUBHLPLAARDQRS-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 | alpha 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 derivativealpha-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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