| 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 | DMID02159753 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H10O7S |
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| Molecular Mass | 334.0147 |
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| SMILES | O=c1c(-c2ccc(OS(=O)(=O)O)c(O)c2)coc2ccccc12 |
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| InChI Key | JONNWLAJLUWNCP-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-hydroxy-4-unsubstituted benzenoidschromonesheteroaromatic compoundshydrocarbon derivativesisoflavonoidsorganic oxidesorganooxygen compoundsoxacyclic compoundsphenoxy compoundsphenylsulfatespyranones and derivativessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoester1-benzopyran1-hydroxy-2-unsubstituted benzenoidphenylsulfateorganic oxidechromonearomatic heteropolycyclic compoundpyranonearylsulfateorganoheterocyclic compoundisoflavonebenzopyranorganic sulfuric acid or derivativesheteroaromatic compound1-hydroxy-4-unsubstituted benzenoidoxacycleorganic oxygen compoundpyransulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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