| 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 | DMID02181524 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H18O6S |
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| Molecular Mass | 290.0824 |
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| SMILES | O=C(O)CCCC1(O)C=CC(O)CC1SCC(=O)O |
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| InChI Key | NOSAYIPFTBGLMN-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 acidsdialkylthioethersdicarboxylic acids and derivativesfatty acylshydrocarbon derivativeshydroxy fatty acidsorganic oxidessecondary alcoholsshort-chain hydroxy acids and derivativessulfenyl compoundstertiary alcohols |
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| Substituents | alcoholcarbocyclic fatty acidcarbonyl groupcarboxylic acidshort-chain hydroxy acidsulfenyl compounddialkylthioetherorganosulfur compoundcarboxylic acid derivativetertiary alcoholorganic oxideorganic oxygen compoundthioethersecondary alcoholaliphatic homomonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativehydroxy fatty acidorganooxygen compound |
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