Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:18:12 UTC |
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Update Date | 2025-03-21 18:35:29 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00105915 |
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Frequency | 25.5 |
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Structure | |
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Chemical Formula | C16H16O8S |
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Molecular Mass | 368.0566 |
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SMILES | COc1cc(C2Oc3cc(O)c(OS(=O)O)cc3CC2O)ccc1O |
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InChI Key | KHMQDBFEUSWDEB-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-benzopyrans1-hydroxy-2-unsubstituted benzenoids3-hydroxyflavonoids4'-hydroxyflavonoids7-hydroxyflavonoidsalkyl aryl ethersanisolesflavan-3-olshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesoxacyclic compoundsphenoxy compoundssecondary alcohols |
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Substituents | phenol ethermonocyclic benzene moiety3-hydroxyflavonoidether1-benzopyranflavan1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherorganic oxidearomatic heteropolycyclic compoundchromaneflavan-3-olorganoheterocyclic compoundalcoholbenzopyranmethoxybenzene3p-methoxyflavonoid-skeletonoxacycleorganic oxygen compoundanisole7-hydroxyflavonoidsecondary alcohol4'-hydroxyflavonoidphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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