| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:33:37 UTC |
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| Update Date | 2025-03-25 00:44:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02140906 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C36H58N2O27 |
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| Molecular Mass | 950.3227 |
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| SMILES | CC(=O)NC1C(O)CC(OCC2CC(O)(C(=O)O)CC(OC3OC(CO)C(O)C(OC4(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O4)C3O)C2O)(C(=O)O)OC1C(O)C(O)CO |
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| InChI Key | GXSJLTNXQROBMU-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 | acetamidesalpha hydroxy acids and derivativesc-glucuronidescarbonyl compoundscarboxylic acidscyclohexanolshydrocarbon derivativesketalsmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholspyran carboxylic acidsquinic acids and derivativessecondary carboxylic acid amidestertiary alcoholstricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidalpha-hydroxy acidmonosaccharidetricarboxylic acid or derivativescarboxylic acid derivativepyran carboxylic acidsaccharideorganic oxideacetalketalaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundacetamidehydrolyzable tanninc-glucuronidealcoholpyran carboxylic acid or derivativescyclohexanolcyclitol or derivativeshydroxy acidcyclic alcoholcarboxamide groupoxacyclesecondary carboxylic acid amidetertiary alcoholorganic oxygen compoundpyransecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundquinic acid |
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