| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:17 UTC |
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| Update Date | 2025-03-25 00:50:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179140 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H14O7S |
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| Molecular Mass | 350.046 |
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| SMILES | COc1ccc(C2CC(=O)c3cc(OS(=O)(=O)O)ccc3O2)cc1 |
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| InChI Key | HQKBVAUFWAGGTM-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 | 4'-o-methylated flavonoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesaryl alkyl ketonesarylsulfateschromonesflavanoneshydrocarbon derivativesmethoxybenzenesorganic oxidesoxacyclic compoundsphenoxy compoundssulfuric acid monoesters |
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| Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoesteretheraryl alkyl ketone1-benzopyranflavanoneflavanalkyl aryl etherketoneorganic oxidechromonearomatic heteropolycyclic compoundchromanearylsulfateorganoheterocyclic compoundbenzopyranorganic sulfuric acid or derivativesmethoxybenzeneoxacycleorganic oxygen compoundanisole4p-methoxyflavonoid-skeletonsulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compoundaryl ketone |
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