| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:05 UTC |
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| Update Date | 2025-03-25 00:54:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203735 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H16O7S |
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| Molecular Mass | 256.0617 |
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| SMILES | O=C(O)CCCCC(O)CC(O)S(=O)(=O)O |
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| InChI Key | JHDGLBLXIQSGBH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | hydroxy acids and derivatives |
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| Subclass | medium-chain hydroxy acids and derivatives |
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| Direct Parent | medium-chain hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganosulfonic acidssecondary alcoholssulfonyls |
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| Substituents | alcoholfatty acylaliphatic acyclic compoundorganosulfonic acid or derivativescarbonyl groupcarboxylic acidorganosulfonic acidfatty acidorganosulfur compoundcarboxylic acid derivativemedium-chain hydroxy acidorganic oxidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativessecondary alcoholhydrocarbon derivativemedium-chain fatty acidhydroxy fatty acidorganooxygen compound |
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