| 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 | DMID02162895 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H22O13S |
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| Molecular Mass | 454.0781 |
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| SMILES | O=C(CC(O)Cc1ccc(O)c(O)c1)OC1C(O)C(O)C(O)C(O)C1OS(=O)(=O)O |
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| InChI Key | BMPBVPZRLLTACP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | alcohols and polyols |
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| Direct Parent | cyclohexanols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl sulfatesbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscyclitols and derivativesfatty acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessulfuric acid monoesters |
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| Substituents | fatty acylmonocyclic benzene moietysulfuric acid monoestercarbonyl group1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativebeta-hydroxy acidorganic oxidealkyl sulfateorganic sulfuric acid or derivativescyclohexanolcyclitol or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidcyclic alcoholaromatic homomonocyclic compoundfatty acid estermonocarboxylic acid or derivativescarboxylic acid estersulfate-esterphenolhydrocarbon derivativebenzenoidsulfuric acid ester |
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