| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:43 UTC |
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| Update Date | 2025-03-25 00:49:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177884 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H28O15 |
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| Molecular Mass | 508.1428 |
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| SMILES | COc1cc(C(=O)OCC2OC(OC3C(CO)OC(O)C(O)C3O)C(O)C(O)C2O)cc(O)c1O |
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| InChI Key | RQOVDKNUJXBUSW-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 | tannins |
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| Subclass | hydrolyzable tannins |
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| Direct Parent | hydrolyzable tannins |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsalkyl aryl ethersanisolesbenzoyl derivativescarboxylic acid estershemiacetalshydrocarbon derivativesm-methoxybenzoic acids and derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundsprimary alcoholssecondary alcoholsm-hydroxybenzoic acid estersp-hydroxybenzoic acid alkyl esters |
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| Substituents | phenol ethermonocyclic benzene moietyetheraromatic heteromonocyclic compoundp-hydroxybenzoic acid estermethoxyphenolbenzoyl1-hydroxy-2-unsubstituted benzenoidmonosaccharidebenzoate esteralkyl aryl ethercarboxylic acid derivativesaccharideorganic oxideacetalhemiacetalm-methoxybenzoic acid or derivativesoxaneprimary alcoholm-hydroxybenzoic acid esterorganoheterocyclic compoundhydrolyzable tanninalcoholbenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoidmethoxybenzenep-hydroxybenzoic acid alkyl esteroxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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