| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 11:07:52 UTC |
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| Update Date | 2025-03-24 21:02:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01652759 |
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| Frequency | 0.8 |
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| Structure | |
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| Chemical Formula | C37H60N2O28 |
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| Molecular Mass | 980.3333 |
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| SMILES | CC(=O)NC1C(O)CC(OC2C(O)C(CO)OC(OC3C(O)C(CO)OC(OC4C(O)C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C4O)C3NC(C)=O)C2O)(C(=O)O)CC1C(O)C(=O)O |
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| InChI Key | UPOVTXHQZPTHGH-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 | acetalsacetamidesalkyl glycosidesalpha hydroxy acids and derivativesalpha-hydroxyaldehydesbeta-hydroxy aldehydescarboxylic acidscyclic alcohols and derivativescyclohexanolsdialkyl ethersdicarboxylic acids and derivativesfatty acyl glycosides of mono- and disaccharidesgamma amino acids and derivativeshydrocarbon derivativesmonosaccharidesn-acyl-alpha-hexosaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholsquinic acids and derivativessecondary carboxylic acid amides |
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| Substituents | fatty acylfatty acyl glycoside of mono- or disaccharidebeta-hydroxy aldehydecarbonyl groupethercarboxylic acidgamma amino acid or derivativesalpha-hydroxy acidmonosaccharidecarboxylic acid derivativedialkyl ethern-acyl-alpha-hexosaminesaccharideorganic oxidealpha-hydroxyaldehydeacetalaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundacetamidehydrolyzable tanninalcoholfatty acyl glycosidecyclohexanolaldehydehydroxy acidcyclic alcoholcarboxamide groupoxacyclesecondary carboxylic acid amideorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundalkyl glycosidequinic acid |
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