| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:37 UTC |
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| Update Date | 2025-03-21 18:33:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00094672 |
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| Frequency | 29.4 |
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| Structure | |
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| Chemical Formula | C12H16O7S |
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| Molecular Mass | 304.0617 |
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| SMILES | O=C(O)C(CCC(O)Cc1ccccc1)OS(=O)(=O)O |
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| InChI Key | AZKOMGVASWUOEV-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 | sulfated fatty acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl sulfatesbenzene and substituted derivativescarbocyclic fatty acidscarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcoholssulfuric acid monoesters |
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| Substituents | carbocyclic fatty acidmonocyclic benzene moietysulfuric acid monoestercarbonyl groupcarboxylic acidcarboxylic acid derivativemedium-chain hydroxy acidorganic oxidealkyl sulfatemedium-chain fatty acidhydroxy fatty acidalcoholorganic sulfuric acid or derivativesaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsulfated fatty acidsecondary alcoholsulfate-esterhydrocarbon derivativebenzenoidsulfuric acid esterorganooxygen compound |
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