| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:13 UTC |
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| Update Date | 2025-03-21 18:41:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00132314 |
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| Frequency | 19.1 |
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| Structure | |
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| Chemical Formula | C15H14O6S |
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| Molecular Mass | 322.0511 |
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| SMILES | O=S(O)c1cccc2c1CC(O)C(c1ccc(O)c(O)c1)O2 |
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| InChI Key | SDNGEVGDVFMEKR-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'-hydroxyflavonoids4'-hydroxyflavonoidsalkyl aryl ethersbenzene and substituted derivativesflavan-3-olshydrocarbon derivativesorganic oxidesorganosulfur compoundsoxacyclic compoundssecondary alcoholssulfinic acids |
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| Substituents | monocyclic benzene moiety3-hydroxyflavonoidether1-benzopyranflavansulfinic acid derivative1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherorganosulfur compoundsulfinic acidorganic oxidearomatic heteropolycyclic compoundchromaneflavan-3-olorganoheterocyclic compoundalcoholbenzopyran1-hydroxy-4-unsubstituted benzenoid3'-hydroxyflavonoidoxacycleorganic oxygen compoundsecondary alcohol4'-hydroxyflavonoidphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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