| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:47 UTC |
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| Update Date | 2025-03-25 01:01:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248896 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H11NO6S |
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| Molecular Mass | 273.0307 |
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| SMILES | COc1cc2c(c(S(=O)(=O)O)c1)CC(C(=O)O)N2 |
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| InChI Key | PSTGMXCQLCDNDW-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-sulfo,2-unsubstituted aromatic compoundsalkyl aryl ethersalpha amino acidsamino acidsanisolesarylsulfonic acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesindolesindolinesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsorganosulfonic acidssecondary alkylarylaminessulfonyls |
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| Substituents | phenol etherorganosulfonic acid or derivativescarbonyl groupethercarboxylic acidamino acid or derivativesamino acidindoleorganosulfonic acidalpha-amino acid or derivativesalkyl aryl etherorganosulfur compoundcarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compounddihydroindole1-sulfo,2-unsubstituted aromatic compoundazacyclesecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativessulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativesanisoleindolecarboxylic acidhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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