| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:45 UTC |
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| Update Date | 2025-03-25 00:52:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02191554 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H23NO13 |
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| Molecular Mass | 425.1169 |
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| SMILES | CC(=O)NC1C(O)C(O)CC(OC2OC(C(=O)O)C(O)C(O)C2O)(C(=O)O)C1O |
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| InChI Key | RDWLXYLECFHHJQ-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 | acetalsacetamidesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclohexanolsdicarboxylic acids and derivativesgamma amino acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmonosaccharideso-glucuronidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidsquinic acids and derivativessecondary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidglucuronic acid or derivativesgamma amino acid or derivativeso-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundacetamidehydrolyzable tanninalcoholpyran carboxylic acid or derivativescyclohexanolcyclitol or derivativeshydroxy acidcyclic alcoholcarboxamide groupoxacyclesecondary carboxylic acid amideorganic oxygen compoundpyransecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundquinic acid |
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