| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:51 UTC |
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| Update Date | 2025-03-25 01:02:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253572 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18O8S |
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| Molecular Mass | 334.0722 |
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| SMILES | O=C(CCC(O)Cc1ccc(O)c(O)c1)OCOCS(=O)O |
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| InChI Key | UTRZRYBODXKSKW-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 acid esters |
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| Direct Parent | fatty acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsalkanesulfinic acids and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganosulfur compoundssecondary alcoholssulfinic acids |
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| Substituents | alcoholmonocyclic benzene moietycarbonyl groupsulfinic acid derivative1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidorganosulfur compoundcarboxylic acid derivativesulfinic acidaromatic homomonocyclic compoundalkanesulfinic acid or derivativesfatty acid esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundacetalcarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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