| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:48 UTC |
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| Update Date | 2025-03-25 00:53:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200840 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H17NO3S |
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| Molecular Mass | 243.0929 |
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| SMILES | COc1ccc(S(N)(=O)=O)c(C(C)(C)C)c1 |
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| InChI Key | AEEOPTTZTGQFIM-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 compoundsphenylpropanes |
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| Substituents | phenol etherorganosulfonic acid or derivativesetherbenzenesulfonamideaminosulfonyl compoundalkyl aryl etherorganosulfur compoundmethoxybenzeneorganosulfonic acid amidephenylpropanearomatic homomonocyclic compoundorganic oxidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesanisolehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compoundbenzenesulfonyl group |
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