| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:49 UTC |
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| Update Date | 2025-03-25 00:54:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207678 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14O9S |
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| Molecular Mass | 334.0359 |
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| SMILES | O=C(CCC(=O)OS(=O)(=O)O)OCCc1ccc(O)c(O)c1 |
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| InChI Key | JHBDSJWRLLPUNB-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 | phenols |
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| Subclass | tyrosols and derivatives |
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| Direct Parent | tyrosols 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 benzenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acid estersdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesorganic oxidessulfuric acid monoesters |
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| Substituents | fatty acylmonocyclic benzene moietysulfuric acid monoestercarbonyl grouporganic sulfuric acid or derivatives1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativearomatic homomonocyclic compoundfatty acid esterorganic oxideorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativetyrosol derivativesulfuric acid esterorganooxygen compound |
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