| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:36 UTC |
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| Update Date | 2025-03-25 00:54:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02204933 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H10O10S |
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| Molecular Mass | 381.9995 |
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| SMILES | O=c1c(-c2cc(O)c(OS(=O)(=O)O)c(O)c2)coc2cc(O)cc(O)c12 |
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| InChI Key | JRAJCCZNPIEVBF-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 derivativesresorcinolssulfuric acid monoestersvinylogous acids |
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| Substituents | monocyclic benzene moietysulfuric acid monoester1-benzopyran1-hydroxy-2-unsubstituted benzenoidresorcinolphenylsulfateorganic oxidechromonearomatic heteropolycyclic compoundpyranonearylsulfateorganoheterocyclic compoundisoflavonebenzopyranorganic sulfuric acid or derivativesheteroaromatic compound1-hydroxy-4-unsubstituted benzenoidoxacyclevinylogous acidorganic oxygen compoundpyransulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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