| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:49:58 UTC |
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| Update Date | 2025-03-21 18:02:31 UTC |
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| HMDB ID | HMDB0041815 |
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| Metabolite Identification |
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| DeepMet ID | DMID00038499 |
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| Name | 6-Sulfatoxymelatonin |
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| Frequency | 90.9 |
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| Structure | |
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| Chemical Formula | C13H16N2O6S |
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| Molecular Mass | 328.0729 |
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| SMILES | COc1cc2c(CCNC(C)=O)c[nH]c2cc1OS(=O)(=O)O |
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| InChI Key | QQEILXDLZRLTME-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 | acetamidesalkyl aryl ethersanisolesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesindolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | phenol ethersulfuric acid monoestercarbonyl groupetherindolealkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundarylsulfateorganoheterocyclic compoundacetamideazacycleheteroaromatic compoundindole or derivativescarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundanisolepyrrolesulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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