| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:45 UTC |
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| Update Date | 2025-03-21 18:03:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00047557 |
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| Frequency | 70.0 |
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| Structure | |
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| Chemical Formula | C23H38N2O16 |
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| Molecular Mass | 598.2221 |
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| SMILES | CC(=O)NC1C(O)CC(OCC2OC(OC3C(CO)OC(O)C(NC(C)=O)C3O)C(O)C(O)C2O)(C(=O)O)CC1O |
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| InChI Key | KNLBEMSEBXEYIC-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 | acetalsacetamidesacylaminosugarscarbonyl compoundscarboxylic acidscyclohexanolsdialkyl ethershemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesn-acyl-alpha-hexosaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholsquinic acids and derivativessecondary carboxylic acid amides |
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| Substituents | carbonyl groupethercarboxylic acidmonosaccharidecarboxylic acid derivativedialkyl ethern-acyl-alpha-hexosaminesaccharideorganic oxideacetalaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetaloxaneprimary alcoholorganoheterocyclic compoundacetamidehydrolyzable tanninalcoholamino saccharidecyclohexanolcyclitol or derivativescyclic alcoholcarboxamide groupacylaminosugaroxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundquinic acid |
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