| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:37:55 UTC |
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| Update Date | 2025-03-21 17:57:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00010645 |
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| Frequency | 440.9 |
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| Structure | |
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| Chemical Formula | C7H6O7S |
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| Molecular Mass | 233.9834 |
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| SMILES | O=C(OS(=O)(=O)O)c1c(O)cccc1O |
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| InChI Key | UMXDQDUHFHUNMS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | salicylic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzoic acids and derivativesbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsresorcinolssulfuric acid monoestersvinylogous acids |
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| Substituents | sulfuric acid monoesterorganic sulfuric acid or derivativesbenzoyl1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativeresorcinolaromatic homomonocyclic compoundvinylogous acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativesphenolhydrocarbon derivativesulfuric acid esterorganooxygen compound |
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