| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:53 UTC |
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| Update Date | 2025-03-25 00:46:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157752 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16O5S |
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| Molecular Mass | 272.0718 |
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| SMILES | O=C(O)CCCCC(c1ccccc1)S(=O)(=O)O |
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| InChI Key | RFHHVQRAAFKEKV-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 | benzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganosulfonic acidssulfonylsthia fatty acids |
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| Substituents | carbocyclic fatty acidorganosulfonic acid or derivativesmonocyclic benzene moietycarbonyl groupcarboxylic acidorganosulfonic acidorganosulfur compoundcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativessulfonylthia fatty acidorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativemedium-chain fatty acidbenzenoidorganooxygen compound |
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