| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:30 UTC |
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| Update Date | 2025-03-25 00:46:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154677 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H22O9S |
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| Molecular Mass | 402.0985 |
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| SMILES | COc1ccc(C2CSCC2O)cc1OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | YNMYBHVVMIVKSQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | o-glucuronides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsalkyl aryl ethersanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkylthioethersglucuronic acid derivativeshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcoholsthiolanes |
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| Substituents | thiolanephenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundo-glucuronidemonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesdialkylthioetherhydroxy acidmethoxybenzeneoxacyclemonocarboxylic acid or derivativesthioetherpyrananisolesecondary alcoholhydrocarbon derivativebenzenoidphenoxy compound |
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