| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:41 UTC |
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| Update Date | 2025-03-25 00:53:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200557 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H17NO4S |
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| Molecular Mass | 259.0878 |
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| SMILES | COc1ccc(CCNS(C)(=O)=O)cc1OC |
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| InChI Key | KCOHVCJFDSXCJH-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 | methoxybenzenes |
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| Direct Parent | dimethoxybenzenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersaminosulfonyl compoundsanisoleshydrocarbon derivativesorganic oxidesorganic sulfonamidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidesphenoxy compounds |
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| Substituents | phenol etherorganosulfonic acid or derivativesetheralkyl aryl etherorganosulfur compoundorganosulfonic acid amidedimethoxybenzeneorganic oxideo-dimethoxybenzeneorganonitrogen compoundorganopnictogen compoundaminosulfonyl compoundaromatic homomonocyclic compoundsulfonylorganic oxygen compoundorganic sulfonic acid or derivativesanisolehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganic sulfonic acid amideorganooxygen compound |
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