| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:00 UTC |
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| Update Date | 2025-03-25 00:46:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153490 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C23H28O15 |
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| Molecular Mass | 544.1428 |
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| SMILES | COc1ccc(C=CC(=O)OC2CC(O)(C(=O)O)CC(O)C2OC2OC(C(=O)O)C(O)C(O)C2O)cc1O |
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| InChI Key | YGAXKCGDBKYWLL-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 ethersalpha hydroxy acids and derivativesanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclohexanolsenoate estersfatty acid estersglucuronic acid derivativeshydrocarbon derivativeshydroxycinnamic acidsmethoxybenzenesmethoxyphenolsmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidsquinic acids and derivativestertiary alcoholstricarboxylic acids and derivatives |
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| Substituents | phenol ethermonocyclic benzene moietycarboxylic acido-glucuronidemethoxyphenolmonosaccharidepyran carboxylic acid1-o-glucuronidealpha,beta-unsaturated carboxylic esterbeta-hydroxy acidsaccharideacetaloxaneorganoheterocyclic compoundhydrolyzable tanninenoate esteralcoholcyclohexanolcyclitol or derivativesmethoxybenzenefatty acid esteranisolecarboxylic acid esterphenolhydrocarbon derivativephenoxy compoundquinic acidfatty acylcarbonyl groupetherglucuronic acid or derivativesaromatic heteromonocyclic compoundalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidtricarboxylic acid or derivativesalkyl aryl ethercarboxylic acid derivativehydroxycinnamic acid or derivativescinnamic acid or derivativesorganic oxidepyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidcyclic alcoholhydroxycinnamic acidoxacycletertiary alcoholorganic oxygen compoundpyransecondary alcoholbenzenoidorganooxygen compound |
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