| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:18:33 UTC |
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| Update Date | 2025-03-25 01:00:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02243688 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H18N2O10S |
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| Molecular Mass | 430.0682 |
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| SMILES | CC(=O)NC1C(C(=O)O)OC(Oc2c[nH]c3ccccc23)C(OS(=O)(=O)O)C1O |
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| InChI Key | NWADRTJQMBNVDT-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 | glucuronic acid derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetalsacetamidesalkyl sulfatesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidspyrrolessecondary alcoholssecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acidglucuronic acid or derivativesindolemonosaccharidecarboxylic acid derivativepyran carboxylic acidorganic oxideacetalaromatic heteropolycyclic compoundalkyl sulfateorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundacetamidealcoholpyran carboxylic acid or derivativesorganic sulfuric acid or derivativesazacycleheteroaromatic compoundindole or derivativescarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativespyranpyrrolesecondary alcoholsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid ester |
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