| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:48 UTC |
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| Update Date | 2025-03-25 00:47:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02159751 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H10O6S |
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| Molecular Mass | 318.0198 |
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| SMILES | O=c1c(-c2ccc(S(=O)(=O)O)cc2)coc2ccc(O)cc12 |
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| InChI Key | PYDVVXCFDYNSTD-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 | isoflavonoids |
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| Subclass | isoflav-2-enes |
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| Direct Parent | isoflavones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-sulfo,2-unsubstituted aromatic compoundsarylsulfonic acids and derivativesbenzenesulfonic acids and derivativesbenzenesulfonyl compoundschromonesheteroaromatic compoundshydrocarbon derivativesisoflavonoidsorganic oxidesorganooxygen compoundsorganosulfonic acidsoxacyclic compoundspyranones and derivativessulfonyls |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moiety1-benzopyranorganosulfonic acid1-hydroxy-2-unsubstituted benzenoidbenzenesulfonateorganosulfur compoundorganic oxidechromonearomatic heteropolycyclic compoundpyranoneorganoheterocyclic compoundbenzenesulfonyl groupisoflavonebenzopyran1-sulfo,2-unsubstituted aromatic compoundheteroaromatic compoundoxacyclesulfonylarylsulfonic acid or derivativesorganic oxygen compoundorganic sulfonic acid or derivativespyranhydrocarbon derivativebenzenoidorganooxygen compound |
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