| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:02 UTC |
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| Update Date | 2025-03-21 18:41:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00134124 |
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| Frequency | 18.8 |
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| Structure | |
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| Chemical Formula | C14H11NO3S |
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| Molecular Mass | 273.046 |
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| SMILES | O=S(=O)(Oc1cccc2cc[nH]c12)c1ccccc1 |
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| InChI Key | YMCFDVQSHUNVOG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzenesulfonic acids and derivatives |
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| Direct Parent | benzenesulfonate esters |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | arylsulfonic acids and derivativesazacyclic compoundsbenzenesulfonyl compoundsheteroaromatic compoundshydrocarbon derivativesindolesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonic acid esterspyrrolessulfonyls |
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| Substituents | organosulfonic acid or derivativesbenzenesulfonate esterindoleorganosulfur compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundbenzenesulfonyl groupazacycleheteroaromatic compoundindole or derivativesorganosulfonic acid estersulfonylarylsulfonic acid or derivativesorganic oxygen compoundorganic sulfonic acid or derivativespyrrolehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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