| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:51 UTC |
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| Update Date | 2025-03-21 18:06:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00061850 |
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| Frequency | 50.3 |
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| Structure | |
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| Chemical Formula | C16H14O9S |
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| Molecular Mass | 382.0359 |
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| SMILES | COc1cc(C2CC(=O)c3c(cc(O)cc3OS(=O)(=O)O)O2)ccc1O |
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| InChI Key | FQMCDQHOKVICPK-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 | flavonoids |
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| Subclass | o-methylated flavonoids |
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| Direct Parent | 3'-o-methylated flavonoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids4'-hydroxyflavonoids7-hydroxyflavonoidsalkyl aryl ethersanisolesaryl alkyl ketonesarylsulfateschromonesflavanoneshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesoxacyclic compoundsphenoxy compoundssulfuric acid monoesters |
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| Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoesteretheraryl alkyl ketone1-benzopyranflavanoneflavan1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherketoneorganic oxidechromonearomatic heteropolycyclic compoundchromanearylsulfateorganoheterocyclic compoundbenzopyranorganic sulfuric acid or derivativesmethoxybenzene3p-methoxyflavonoid-skeletonoxacycleorganic oxygen compoundanisole7-hydroxyflavonoid4'-hydroxyflavonoidsulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compoundaryl ketone |
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