| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:59 UTC |
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| Update Date | 2025-03-25 00:47:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162393 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H14O7S |
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| Molecular Mass | 290.046 |
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| SMILES | O=C(O)CCC(Cc1ccc(O)c(O)c1)S(=O)(=O)O |
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| InChI Key | ZECDZJMMIRUNSP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | carbocyclic fatty acids |
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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 acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic oxidesorganosulfonic acidssulfonylsthia fatty acids |
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| Substituents | carbocyclic fatty acidorganosulfonic acid or derivativesmonocyclic benzene moietycarbonyl groupcarboxylic acidorganosulfonic acid1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundcarboxylic acid derivativemedium-chain hydroxy acidorganic oxidemedium-chain fatty acidhydroxy fatty acid1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesthia fatty acidsulfonylorganic oxygen compoundorganic sulfonic acid or derivativesphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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