| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:19 UTC |
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| Update Date | 2025-03-25 00:50:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181525 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H16O7S |
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| Molecular Mass | 280.0617 |
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| SMILES | O=C(O)CCCC1(O)C=CC(O)CC1S(=O)(=O)O |
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| InChI Key | FZHYLFMVVQFHPE-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 | aliphatic homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsfatty acylshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganosulfonic acidssecondary alcoholsshort-chain hydroxy acids and derivativessulfonylstertiary alcohols |
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| Substituents | alcoholcarbocyclic fatty acidorganosulfonic acid or derivativescarbonyl groupcarboxylic acidshort-chain hydroxy acidorganosulfonic acidorganosulfur compoundcarboxylic acid derivativetertiary alcoholorganic oxidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativessecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativehydroxy fatty acidorganooxygen compound |
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