| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 03:51:40 UTC |
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| Update Date | 2025-03-21 22:58:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00608207 |
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| Frequency | 2.7 |
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| Structure | |
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| Chemical Formula | C40H66N2O31 |
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| Molecular Mass | 1070.365 |
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| SMILES | CC(=O)NC1C(O)CC(OCC2OC(OC3C(O)C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C3O)C(NC(C)=O)C(OC3C(O)C(CO)OC(OC4C(CO)OC(O)C(O)C4O)C3O)O2)(C(=O)O)CC1O |
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| InChI Key | WXUDVFUPPKTTKX-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 | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-dioxanesacetalsacetamidesalkyl glycosidesalpha-hydroxyaldehydesbeta-hydroxy aldehydescarboxylic acidscyclohexanolsdialkyl ethersfatty acyl glycosides of mono- and disaccharideshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholsquinic acids and derivativessecondary carboxylic acid amides |
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| Substituents | fatty acylfatty acyl glycoside of mono- or disaccharidebeta-hydroxy aldehydecarbonyl groupethercarboxylic acidmonosaccharidecarboxylic acid derivativedialkyl ethersaccharideorganic oxidealpha-hydroxyaldehydeacetalaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetaloxaneprimary alcoholorganoheterocyclic compoundacetamidehydrolyzable tanninalcoholfatty acyl glycosidecyclohexanolaldehydecyclitol or derivativescyclic alcoholcarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundmeta-dioxaneorganooxygen compoundalkyl glycosidequinic acid |
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