| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:11 UTC |
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| Update Date | 2025-03-25 00:50:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178919 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C23H26O14S |
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| Molecular Mass | 558.1043 |
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| SMILES | COc1ccc(C2Oc3cc(S(=O)O)cc(O)c3CC2O)cc1OC1OC(C(=O)O)C(O)C(O)C(O)C1O |
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| InChI Key | ULMYLYADLMRDRM-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 | o-methylated flavonoids |
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| Direct Parent | 4'-o-methylated flavonoids |
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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-hydroxyflavonoidsacetalsalkyl aryl ethersanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsflavan-3-olshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganosulfur compoundsoxacyclic compoundsoxepanesphenoxy compoundssecondary alcoholssulfinic acids |
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| Substituents | phenol ethermonocyclic benzene moiety3-hydroxyflavonoidcarbonyl groupethercarboxylic acid1-benzopyranflavansulfinic acid derivative1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherorganosulfur compoundcarboxylic acid derivativesulfinic acidbeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundchromaneflavan-3-olorganoheterocyclic compoundalcoholbenzopyran5-hydroxyflavonoidhydroxy acid1-hydroxy-4-unsubstituted benzenoidmethoxybenzeneoxepaneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolesecondary alcohol4p-methoxyflavonoid-skeletonhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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