| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:24:54 UTC |
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| Update Date | 2025-03-24 21:37:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01836438 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C37H61N3O26 |
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| Molecular Mass | 963.3543 |
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| SMILES | CC(=O)NC1OC(CO)C(OC2OC(CO)C(O)C(OC3OC(COC4(C(=O)O)CC(O)C(NC(C)=O)C(O)C4)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3NC(C)=O)C2O)C(O)C1O |
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| InChI Key | YUXYGCXXBRJPMB-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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