| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:12 UTC |
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| Update Date | 2025-03-21 18:41:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00134520 |
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| Frequency | 18.7 |
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| Structure | |
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| Chemical Formula | C17H16O8 |
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| Molecular Mass | 348.0845 |
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| SMILES | COc1ccc(C2Oc3cc(O)cc(O)c3C(C(=O)O)C2O)cc1O |
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| InChI Key | HAAXZECYIITZMT-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 | flavans |
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| Direct Parent | catechins |
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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'-hydroxyflavonoids3-hydroxyflavonoids4'-o-methylated flavonoids5-hydroxyflavonoids7-hydroxyflavonoidsalkyl aryl ethersanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenoxy compoundssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moiety3-hydroxyflavonoidcarbonyl groupethercarboxylic acid1-benzopyran1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativebeta-hydroxy acidorganic oxidearomatic heteropolycyclic compoundchromanecatechinorganoheterocyclic compoundalcoholbenzopyran5-hydroxyflavonoidhydroxy acid1-hydroxy-4-unsubstituted benzenoidmethoxybenzene3'-hydroxyflavonoidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisole7-hydroxyflavonoidsecondary alcohol4p-methoxyflavonoid-skeletonphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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