| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:20 UTC |
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| Update Date | 2025-03-25 00:54:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206558 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H16O6S |
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| Molecular Mass | 276.0668 |
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| SMILES | O=C(O)C(=O)CCSCC1(O)C=CC(O)CC1O |
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| InChI Key | QODCPYRUDGDDCP-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 | alpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidscyclitols and derivativesdialkylthioethersfatty acylshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesorganic oxidessecondary alcoholsshort-chain keto acids and derivativessulfenyl compoundstertiary alcoholsthia fatty acids |
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| Substituents | carbocyclic fatty acidcarbonyl groupcarboxylic acidshort-chain keto acidorganosulfur compoundalpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxidealpha-keto acidhydroxy fatty acidalcoholsulfenyl compounddialkylthioethercyclitol or derivativestertiary alcoholmonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioetherketo acidsecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativeorganooxygen compound |
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