| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:45 UTC |
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| Update Date | 2025-03-21 18:33:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00095004 |
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| Frequency | 29.2 |
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| Structure | |
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| Chemical Formula | C15H14O7S |
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| Molecular Mass | 338.046 |
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| SMILES | O=S(=O)(O)c1cc(O)cc2c1CC(O)C(c1ccc(O)cc1)O2 |
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| InChI Key | QZJMBTWWQWHSNZ-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 | hydroxyflavonoids |
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| Direct Parent | 3-hydroxyflavonoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoids1-sulfo,2-unsubstituted aromatic compounds4'-hydroxyflavonoids7-hydroxyflavonoidsalkyl aryl ethersarylsulfonic acids and derivativesbenzene and substituted derivativesflavan-3-olshydrocarbon derivativesorganic oxidesorganosulfonic acidsoxacyclic compoundssecondary alcoholssulfonyls |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moiety3-hydroxyflavonoidether1-benzopyranflavanorganosulfonic acid1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherorganosulfur compoundorganic oxidearomatic heteropolycyclic compoundchromaneflavan-3-olorganoheterocyclic compoundalcoholbenzopyran1-sulfo,2-unsubstituted aromatic compoundoxacyclesulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivatives7-hydroxyflavonoidsecondary alcohol4'-hydroxyflavonoidphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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