| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:25 UTC |
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| Update Date | 2025-03-21 18:03:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00046760 |
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| Frequency | 71.4 |
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| Structure | |
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| Chemical Formula | C18H26O15S |
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| Molecular Mass | 514.0992 |
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| SMILES | O=C(CCC(O)Cc1cc(O)c(O)c(O)c1)OCOC1OC(COS(=O)(=O)O)C(O)C(O)C1O |
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| InChI Key | NBDWFUMQFLUVGI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenols |
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| Subclass | benzenetriols and derivatives |
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| Direct Parent | pyrogallols 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 compoundscarboxylic acid estersfatty acid estershydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanessecondary alcoholssulfuric acid monoesters |
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| Substituents | fatty acylmonocyclic benzene moietysulfuric acid monoestercarbonyl grouparomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativesaccharideorganic oxideacetalalkyl sulfateoxaneorganoheterocyclic compoundalcoholorganic sulfuric acid or derivativespyrogallol derivative1-hydroxy-4-unsubstituted benzenoidoxacyclefatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholsulfate-esterhydrocarbon derivativesulfuric acid esterorganooxygen compound |
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