| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:28 UTC |
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| Update Date | 2025-03-21 18:34:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00101652 |
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| Frequency | 26.8 |
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| Structure | |
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| Chemical Formula | C7H9NO3S |
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| Molecular Mass | 187.0303 |
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| SMILES | COc1cccc(S(N)(=O)=O)c1 |
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| InChI Key | VBKIEQKVSHDVGH-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 | benzenesulfonamides |
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| Direct Parent | benzenesulfonamides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersaminosulfonyl compoundsanisolesbenzenesulfonyl compoundshydrocarbon derivativesmethoxybenzenesorganic nitrogen compoundsorganic oxidesorganosulfonamidesphenoxy compounds |
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| Substituents | phenol etherorganosulfonic acid or derivativesetherbenzenesulfonamideaminosulfonyl compoundalkyl aryl etherorganosulfur compoundmethoxybenzeneorganosulfonic acid amidearomatic homomonocyclic compoundorganic oxidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesanisolehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compoundbenzenesulfonyl group |
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