| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:29 UTC |
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| Update Date | 2025-03-21 18:30:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00082562 |
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| Frequency | 35.0 |
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| Structure | |
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| Chemical Formula | C9H12O6S |
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| Molecular Mass | 248.0355 |
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| SMILES | COc1cc(OC)cc(OS(=O)(=O)OC)c1 |
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| InChI Key | ZFYBRQMHEVNDNT-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 ethersalkyl sulfatesanisolesarylsulfateshydrocarbon derivativesorganic oxidesphenoxy compoundssulfuric acid diesters |
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| Substituents | phenol etheretherorganic sulfuric acid or derivativesalkyl aryl etheraromatic homomonocyclic compounddimethoxybenzeneorganic oxideorganic oxygen compoundsulfuric acid diesterm-dimethoxybenzeneanisolealkyl sulfatehydrocarbon derivativearylsulfatephenoxy compoundsulfuric acid esterorganooxygen compound |
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