| 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 | DMID02200849 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12O5S |
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| Molecular Mass | 232.0405 |
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| SMILES | COc1ccc(OC)c(S(=O)(=O)OC)c1 |
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| InChI Key | KBWHJCJSUAVIJD-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 homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesarylsulfonic acids and derivativesbenzenesulfonyl compoundsdimethoxybenzeneshydrocarbon derivativesorganic oxidesorganosulfonic acid estersphenoxy compoundssulfonyls |
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| Substituents | phenol etherorganosulfonic acid or derivativesbenzenesulfonate esteretherp-dimethoxybenzenealkyl aryl etherorganosulfur compounddimethoxybenzeneorganic oxidebenzenesulfonyl groupmethoxybenzeneorganosulfonic acid esteraromatic homomonocyclic compoundsulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativesanisolehydrocarbon derivativephenoxy compoundorganooxygen compound |
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