| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:33 UTC |
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| Update Date | 2025-03-25 00:45:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02150072 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H36N2O15 |
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| Molecular Mass | 556.2116 |
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| SMILES | CC(=O)NC1C(O)OC(CO)C(OC2OC(COC3(C(=O)O)CC(O)C(N)C(O)C3)C(O)C(O)C2O)C1O |
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| InChI Key | ULORKNSJOLAOLD-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 | acetalsacetamidesacylaminosugarscarbonyl compoundscarboxylic acidscyclohexanolsdelta amino acids and derivativesdialkyl ethershemiacetalshydrocarbon derivativesmonoalkylaminesmonocarboxylic 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 compoundhemiacetaldelta amino acid or derivativesoxaneprimary alcoholorganoheterocyclic compoundacetamidehydrolyzable tanninalcoholamino saccharidecyclohexanolcyclitol or derivativescyclic alcoholcarboxamide groupacylaminosugaroxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundquinic acid |
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