| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:19 UTC |
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| Update Date | 2025-03-25 00:59:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236312 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H11NO6S |
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| Molecular Mass | 285.0307 |
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| SMILES | COS(=O)(=O)Oc1cccc2c(CC(=O)O)c[nH]c12 |
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| InChI Key | LPXBZJFLAKULEL-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic sulfuric acids and derivatives |
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| Subclass | arylsulfates |
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| Direct Parent | arylsulfates |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl sulfatesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessulfuric acid diesters |
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| Substituents | carbonyl groupcarboxylic acidindolecarboxylic acid derivativeorganic oxidesulfuric acid diesteraromatic heteropolycyclic compoundalkyl sulfateorganonitrogen compoundorganopnictogen compoundarylsulfateorganoheterocyclic compoundazacycleheteroaromatic compoundindole or derivativesmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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