| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:27 UTC |
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| Update Date | 2025-03-25 00:59:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234319 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H14O10S |
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| Molecular Mass | 458.0308 |
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| SMILES | O=c1c(-c2ccc(OS(=O)(=O)O)cc2)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 |
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| InChI Key | INVSFAWOPHKNOJ-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 | 5-hydroxyflavonoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids3'-hydroxyflavonoids4'-hydroxyflavonoids7-hydroxyflavonoidschromonesflavonoidsheteroaromatic compoundshydrocarbon derivativesisoflavonesisoflavonoidsorganic oxidesorganooxygen compoundsoxacyclic compoundsphenoxy compoundsphenylsulfatespyranones and derivativessulfuric acid monoestersvinylogous acids |
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| Substituents | monocyclic benzene moietysulfuric acid monoester1-benzopyran1-hydroxy-2-unsubstituted benzenoidphenylsulfateorganic oxidechromonearomatic heteropolycyclic compoundisoflavonoidpyranonearylsulfateorganoheterocyclic compoundisoflavonebenzopyranorganic sulfuric acid or derivativesheteroaromatic compound5-hydroxyflavonoidisoflavonoid skeleton1-hydroxy-4-unsubstituted benzenoid3'-hydroxyflavonoidoxacyclevinylogous acidorganic oxygen compoundpyran7-hydroxyflavonoid4'-hydroxyflavonoidsulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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