| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 13:29:45 UTC |
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| Update Date | 2025-03-24 22:05:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01990131 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C49H81N3O36 |
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| Molecular Mass | 1287.46 |
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| SMILES | CC(=O)NC1C(O)CC(OC2C(O)C(CO)OC(OC3C(O)C(COC4(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O4)OC(OC4C(O)C(CO)OC(OC5C(CO)OC(O)C(O)C5O)C4O)C3NC(C)=O)C2O)(C(=O)O)CC1C(O)C(O)CO |
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| InChI Key | OGFVXZLDTFNYIR-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 | acetamidesc-glucuronidescarbonyl compoundscarboxylic acidscyclic alcohols and derivativescyclohexanolsdialkyl ethersdicarboxylic acids and derivativeshemiacetalshydrocarbon derivativesketalsmonosaccharidesn-acyl-alpha-hexosaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholspyran carboxylic acidsquinic acids and derivativessecondary carboxylic acid amides |
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| Substituents | carbonyl groupethercarboxylic acidmonosaccharidecarboxylic acid derivativepyran carboxylic aciddialkyl ethern-acyl-alpha-hexosaminesaccharideorganic oxideacetalketalaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetaloxaneprimary alcoholorganoheterocyclic compoundacetamidehydrolyzable tanninc-glucuronidealcoholpyran carboxylic acid or derivativescyclohexanolcyclic alcoholcarboxamide groupoxacyclesecondary carboxylic acid amideorganic oxygen compoundpyransecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundquinic acid |
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