| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:02 UTC |
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| Update Date | 2025-03-25 00:46:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153558 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H16O8S |
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| Molecular Mass | 380.0566 |
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| SMILES | COc1ccc(C2c3cc4c(cc3CC2OS(=O)(=O)O)OCO4)cc1O |
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| InChI Key | OOTARMWTPDPMEX-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 benzenoidsacetalsalkyl aryl ethersalkyl sulfatesanisolesbenzodioxoleshydrocarbon derivativesindanesmethoxybenzenesorganic oxidesoxacyclic compoundsphenoxy compoundssulfuric acid monoesters |
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| Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoesterether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherorganic oxideacetalaromatic heteropolycyclic compoundalkyl sulfateorganoheterocyclic compoundbenzodioxoleorganic sulfuric acid or derivatives1-hydroxy-4-unsubstituted benzenoidmethoxybenzeneoxacycleorganic oxygen compoundanisoleindanesulfate-esterhydrocarbon derivativephenoxy compoundsulfuric acid esterorganooxygen compound |
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