| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:34 UTC |
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| Update Date | 2025-03-25 00:59:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02239086 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H22O15 |
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| Molecular Mass | 454.0959 |
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| SMILES | O=CC(OC1OC(C(=O)O)C(O)C(O)C1O)C(=O)OC1CC(O)(C(=O)O)CC(O)C1O |
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| InChI Key | AJIWMXRMVLXKBS-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 | 1,3-dicarbonyl compoundsacetalsaldehydesalpha hydroxy acids and derivativesbeta hydroxy acids and derivativescarboxylic acid esterscarboxylic acidscyclohexanolsglucuronic acid derivativeshydrocarbon derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidsquinic acids and derivativestertiary alcoholstricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidglucuronic acid or derivativesalpha-hydroxy acido-glucuronidemonosaccharidetricarboxylic acid or derivativescarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalaliphatic heteromonocyclic compoundoxaneorganoheterocyclic compoundhydrolyzable tanninalcoholpyran carboxylic acid or derivativescyclohexanolaldehydecyclitol or derivativeshydroxy acidcyclic alcoholoxacycletertiary alcoholorganic oxygen compoundpyrancarboxylic acid estersecondary alcoholhydrocarbon derivative1,3-dicarbonyl compoundorganooxygen compoundquinic acid |
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