| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:22 UTC |
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| Update Date | 2025-03-21 18:03:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00044225 |
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| Frequency | 76.6 |
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| Structure | |
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| Chemical Formula | C9H9NO4S |
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| Molecular Mass | 227.0252 |
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| SMILES | COc1ccc2[nH]cc(S(=O)(=O)O)c2c1 |
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| InChI Key | YBNCCYHKNYVYAY-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 | indoles |
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| Direct Parent | indoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesarylsulfonic acids and derivativesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acidspyrrolessulfonyls |
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| Substituents | phenol etherorganosulfonic acid or derivativesetherindoleorganosulfonic acidalkyl aryl etherorganosulfur compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundazacycleheteroaromatic compoundsulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativesanisolepyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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