| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:44 UTC |
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| Update Date | 2025-03-25 00:53:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200678 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H16O7S |
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| Molecular Mass | 352.0617 |
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| SMILES | COc1ccc(C2Cc3ccc(OS(=O)(=O)O)cc3CO2)cc1O |
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| InChI Key | XAAGJPZIQZBCQK-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 | phenols |
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| Subclass | methoxyphenols |
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| Direct Parent | methoxyphenols |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids2-benzopyransalkyl aryl ethersanisolesarylsulfatesdialkyl ethershydrocarbon derivativesmethoxybenzenesorganic oxidesoxacyclic compoundsphenoxy compoundssulfuric acid monoesters |
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| Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoesterether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherdialkyl etherorganic oxidearomatic heteropolycyclic compoundisochromanearylsulfateorganoheterocyclic compoundbenzopyranorganic sulfuric acid or derivatives1-hydroxy-4-unsubstituted benzenoidmethoxybenzeneoxacycleorganic oxygen compoundanisole2-benzopyransulfate-esterhydrocarbon derivativephenoxy compoundsulfuric acid esterorganooxygen compound |
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