| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:40 UTC |
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| Update Date | 2025-03-25 00:50:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182305 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H20O13 |
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| Molecular Mass | 396.0904 |
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| SMILES | O=C(O)C1OC(OC2C(O)CC(O)(C(=O)O)CC2O)(C(=O)O)CC(O)C1O |
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| InChI Key | VKJDXCSDLPJSSZ-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 | alpha hydroxy acids and derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclohexanolshydrocarbon derivativesketalsmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidsquinic acids and derivativestertiary alcoholstricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidalpha-hydroxy acidmonosaccharidetricarboxylic acid or derivativescarboxylic acid derivativepyran carboxylic acidbeta-hydroxy acidsaccharideorganic oxideacetalketalaliphatic heteromonocyclic compoundoxaneorganoheterocyclic compoundhydrolyzable tanninalcoholpyran carboxylic acid or derivativescyclohexanolcyclitol or derivativeshydroxy acidcyclic alcoholoxacycletertiary alcoholorganic oxygen compoundpyransecondary alcoholhydrocarbon derivativeorganooxygen compoundquinic acid |
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