| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:01 UTC |
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| Update Date | 2025-03-25 00:46:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02158053 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H7NO6S |
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| Molecular Mass | 268.9994 |
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| SMILES | O=C(O)c1cc2ccccc(OS(=O)(=O)O)c-2n1 |
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| InChI Key | XLJNXEKOCKKETE-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 | azacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrole 2-carboxylic acidspyrrole carboxylic acids and derivativessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarboxylic acidazacycleheteroaromatic compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativespyrrole-2-carboxylic acidorganic oxygen compoundpyrrole-2-carboxylic acid or derivativesaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativearylsulfateorganic nitrogen compoundsulfuric acid esterorganoheterocyclic compoundorganooxygen compound |
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