| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:52 UTC |
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| Update Date | 2025-03-21 18:38:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00122047 |
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| Frequency | 21.2 |
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| Structure | |
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| Chemical Formula | C22H26O12S |
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| Molecular Mass | 514.1145 |
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| SMILES | COc1ccc(C2Oc3cc(O)cc(S(=O)O)c3CC2O)cc1OC1OC(CO)C(O)C(O)C1O |
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| InChI Key | CJGGSFIGHXWTEG-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 | flavonoid glycosides |
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| Direct Parent | flavonoid o-glycosides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoids3-hydroxyflavonoids4'-o-methylated flavonoids7-hydroxyflavonoidsacetalsalkyl aryl ethersanisolesflavan-3-olshydrocarbon derivativesmethoxybenzenesmonosaccharidesorganic oxidesorganosulfur compoundsoxacyclic compoundsoxanesphenoxy compoundsprimary alcoholssecondary alcoholssulfinic acids |
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| Substituents | phenol ethermonocyclic benzene moiety3-hydroxyflavonoidether1-benzopyranflavansulfinic acid derivative1-hydroxy-2-unsubstituted benzenoidmonosaccharidealkyl aryl etherorganosulfur compoundsulfinic acidsaccharideorganic oxideacetalaromatic heteropolycyclic compoundchromaneflavonoid-3p-o-glycosideoxaneflavan-3-olprimary alcoholorganoheterocyclic compoundalcoholbenzopyranmethoxybenzeneflavonoid o-glycosideoxacycleorganic oxygen compoundanisole7-hydroxyflavonoidsecondary alcohol4p-methoxyflavonoid-skeletonhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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