| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:30 UTC |
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| Update Date | 2025-03-25 00:50:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179660 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H16O7S |
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| Molecular Mass | 292.0617 |
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| SMILES | COc1ccc(CCC(O)OS(=O)(=O)O)cc1OC |
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| InChI Key | MUQPTZRJIIAJHU-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 sulfatesanisoleshydrocarbon derivativesorganic oxidesphenoxy compoundssulfuric acid monoesters |
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| Substituents | phenol ethersulfuric acid monoesteretherorganic sulfuric acid or derivativesalkyl aryl etheraromatic homomonocyclic compounddimethoxybenzeneorganic oxideorganic oxygen compoundanisoleo-dimethoxybenzenealkyl sulfatesulfate-esterhydrocarbon derivativephenoxy compoundsulfuric acid esterorganooxygen compound |
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