| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:16 UTC |
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| Update Date | 2025-03-25 00:53:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201867 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H28O14S |
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| Molecular Mass | 512.12 |
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| SMILES | COC1C(O)C(COS(=O)(=O)O)OC(OCOC(=O)CCC(O)Cc2ccc(O)c(O)c2)C1O |
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| InChI Key | CIJHDUMUACIRHF-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 heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsalkyl sulfatesbenzene and substituted derivativescarbonyl compoundscarboxylic acid estersdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanessecondary alcoholssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl groupetheraromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativedialkyl ethersaccharideorganic oxideacetalalkyl sulfateoxaneorganoheterocyclic compoundalcoholorganic sulfuric acid or derivatives1-hydroxy-4-unsubstituted benzenoidoxacyclefatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholsulfate-esterphenolhydrocarbon derivativebenzenoidsulfuric acid esterorganooxygen compound |
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