| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:24 UTC |
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| Update Date | 2025-03-21 18:05:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00058365 |
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| Frequency | 54.1 |
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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)c1cc(O)c2c(c1)OC(c1cc(O)cc(O)c1)C(O)C2 |
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| InChI Key | LKERFMHEAXURDY-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-hydroxy-4-unsubstituted benzenoids3'-hydroxyflavonoids5-hydroxyflavonoidsalkyl aryl ethersbenzene and substituted derivativesflavan-3-olshydrocarbon derivativesorganic oxidesorganosulfur compoundsoxacyclic compoundsresorcinolssecondary alcoholssulfinic acids |
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| Substituents | monocyclic benzene moiety3-hydroxyflavonoidether1-benzopyranflavansulfinic acid derivative1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherorganosulfur compoundsulfinic acidresorcinolorganic oxidearomatic heteropolycyclic compoundchromaneflavan-3-olorganoheterocyclic compoundalcoholbenzopyran5-hydroxyflavonoid1-hydroxy-4-unsubstituted benzenoid3'-hydroxyflavonoidoxacycleorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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