| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:12 UTC |
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| Update Date | 2025-03-25 00:50:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183504 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H14O13S |
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| Molecular Mass | 422.0155 |
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| SMILES | O=C(O)c1ccccc1C(=O)OC1OC(C(=O)O)C(O)C(OS(=O)(=O)O)C1O |
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| InChI Key | PPIFRPFPFUWSDY-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 | 1-carboxy-2-haloaromatic compoundsacetalsalkyl sulfatesbenzoic acid estersbenzoic acidsbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid estersglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssulfuric acid monoesterstricarboxylic acids and derivatives |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundbenzoylo-glucuronidemonosaccharidetricarboxylic acid or derivativesbenzoate estercarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalalkyl sulfate1-carboxy-2-haloaromatic compoundbenzoic acidoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesorganic sulfuric acid or derivativesbenzoic acid or derivativeshydroxy acidoxacyclepyrancarboxylic acid estersecondary alcoholsulfate-esterhydrocarbon derivativebenzenoidsulfuric acid ester |
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