| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:15:38 UTC |
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| Update Date | 2025-03-25 00:37:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02099040 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C33H54N2O26 |
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| Molecular Mass | 894.2965 |
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| SMILES | CC(=O)NC1C(O)CC(OC2C(O)C(CO)OC(OC3C(O)C(CO)OC(COC4(C(=O)O)CC(O)C(NC(C)=O)C(OO)C4O)C3O)C2O)(C(=O)O)OC1C(O)C(O)CO |
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| InChI Key | ODDNIWJIBXMHFL-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 | acetamidesalkyl hydroperoxidesbeta hydroxy acids and derivativesc-glucuronidescarbonyl compoundscarboxylic acidscyclohexanolsdialkyl ethersdicarboxylic acids and derivativeshydrocarbon derivativesketalsmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesperoxolsprimary alcoholspyran carboxylic acidsquinic acids and derivativessecondary carboxylic acid amides |
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| Substituents | carbonyl groupethercarboxylic acidmonosaccharidehydroperoxidecarboxylic acid derivativepyran carboxylic aciddialkyl etherbeta-hydroxy acidsaccharideorganic oxidealkyl hydroperoxideacetalketalaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundacetamidehydrolyzable tanninc-glucuronidealcoholpyran carboxylic acid or derivativescyclohexanolcyclitol or derivativeshydroxy acidcyclic alcoholcarboxamide groupperoxoloxacyclesecondary carboxylic acid amideorganic oxygen compoundpyransecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundquinic acid |
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