| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-21 00:29:03 UTC |
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| Update Date | 2025-03-21 18:40:59 UTC |
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| HMDB ID | HMDB0128088 |
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| Metabolite Identification |
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| DeepMet ID | DMID00131926 |
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| Name | {4-[3-oxo-3-(2,4,6-trihydroxyphenyl)prop-1-en-1-yl]phenyl}oxidanesulfonic acid |
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| Frequency | 19.2 |
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| Structure | |
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| Chemical Formula | C15H12O8S |
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| Molecular Mass | 352.0253 |
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| SMILES | O=C(C=Cc1ccc(OS(=O)(=O)O)cc1)c1c(O)cc(O)cc1O |
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| InChI Key | OERQVDUPRGOEHR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | linear 1,3-diarylpropanoids |
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| Subclass | cinnamylphenols |
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| Direct Parent | cinnamylphenols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacylphloroglucinols and derivativesalpha,beta-unsaturated ketonesaryl ketonesbenzoyl derivativescinnamic acids and derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundsphenoxy compoundsphenylsulfatessulfuric acid monoestersvinylogous acids |
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| Substituents | monocyclic benzene moietysulfuric acid monoesterbenzoyl1-hydroxy-2-unsubstituted benzenoidcinnamylphenolalpha,beta-unsaturated ketoneketonephloroglucinol derivativephenylsulfatecinnamic acid or derivativesorganic oxidearylsulfateacylphloroglucinol derivativeorganic sulfuric acid or derivativesbenzenetriol1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundvinylogous acidorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compoundaryl ketone |
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