| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 08:34:11 UTC |
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| Update Date | 2025-03-25 00:20:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01285874 |
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| Frequency | 1.0 |
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| Structure | |
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| Chemical Formula | C34H58N2O25 |
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| Molecular Mass | 894.3329 |
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| SMILES | CC(=O)NC1C(O)CC(OCC2OC(OC3C(O)C(CO)OC(OC(C(O)CO)C(O)CO)C3O)C(NC(C)=O)C(OC3OC(CO)C(O)C(O)C3O)C2O)(C(=O)O)CC1O |
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| InChI Key | YSFNYEJJJFHVAX-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 | acetalsacetamidescarbonyl compoundscarboxylic acidscyclohexanolsdialkyl ethershydrocarbon 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 compoundoxaneprimary alcoholorganoheterocyclic compoundacetamidehydrolyzable tanninalcoholcyclohexanolcyclitol or derivativescyclic alcoholcarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundquinic acid |
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