| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:12 UTC |
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| Update Date | 2025-03-25 00:47:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162893 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H22O14S |
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| Molecular Mass | 470.073 |
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| SMILES | O=C(CC(O)Cc1ccc(O)c(O)c1)OC1OC(C(O)O)C(O)C(O)C1OS(=O)(=O)O |
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| InChI Key | GUEFKXQVSLQTEZ-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 | beta hydroxy acids and derivatives |
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| Direct Parent | beta hydroxy acids and derivatives |
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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 compoundscarbonyl hydratescarboxylic acid estersfatty acid estershydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanessecondary alcoholssulfuric acid monoesters |
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| Substituents | fatty acylmonocyclic benzene moietysulfuric acid monoestercarbonyl groupcarbonyl hydratearomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativebeta-hydroxy acidsaccharideorganic 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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