| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:17 UTC |
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| Update Date | 2025-03-25 00:47:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163076 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C24H34O16 |
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| Molecular Mass | 578.1847 |
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| SMILES | O=C(CCC(O)Cc1ccc(O)c(O)c1)OC1OC(COC2(C(=O)O)CC(O)C(O)C(O)C2O)C(O)C(O)C1O |
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| InChI Key | UQFDDBHTTVUJFC-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 benzenoidsacetalsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidscyclohexanolsdialkyl ethersdicarboxylic acids and derivativesfatty acid estersfatty acyl glycosides of mono- and disaccharideshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesquinic acids and derivatives |
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| Substituents | fatty acylfatty acyl glycoside of mono- or disaccharidemonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativedialkyl etherbeta-hydroxy acidsaccharideorganic oxideacetaloxaneorganoheterocyclic compoundhydrolyzable tanninalcoholfatty acyl glycosidecyclohexanolcyclitol or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidcyclic alcoholoxacyclefatty acid esterorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganooxygen compoundquinic acid |
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