| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:39:05 UTC |
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| Update Date | 2025-03-21 17:58:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00013389 |
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| Frequency | 334.5 |
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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 | COc1ccc(C2Oc3cc(O)cc(S(=O)(=O)O)c3CC2O)cc1O |
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| InChI Key | HNEVZNJNAMKIPH-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 | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids1-sulfo,2-unsubstituted aromatic compounds3'-hydroxyflavonoids3-hydroxyflavonoids7-hydroxyflavonoidsalkyl aryl ethersanisolesarylsulfonic acids and derivativesflavan-3-olshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesorganosulfonic acidsoxacyclic compoundsphenoxy compoundssecondary alcoholssulfonyls |
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| Substituents | phenol etherorganosulfonic acid or derivativesmonocyclic benzene moiety3-hydroxyflavonoidether1-benzopyranflavanorganosulfonic acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherorganosulfur compoundorganic oxidearomatic heteropolycyclic compoundchromaneflavan-3-olorganoheterocyclic compoundalcoholbenzopyran1-sulfo,2-unsubstituted aromatic compound1-hydroxy-4-unsubstituted benzenoidmethoxybenzene3'-hydroxyflavonoidoxacyclesulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativesanisole7-hydroxyflavonoidsecondary alcohol4p-methoxyflavonoid-skeletonphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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