| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:30 UTC |
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| Update Date | 2025-03-21 18:38:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00121150 |
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| Frequency | 21.4 |
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| Structure | |
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| Chemical Formula | C11H16O10 |
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| Molecular Mass | 308.0743 |
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| SMILES | O=CC(O)C(O)C(=O)OC1CC(O)(C(=O)O)CC(O)C1O |
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| InChI Key | NRZZPGWKVKRZAH-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 homomonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesalpha-hydroxyaldehydesbeta hydroxy acids and derivativesbeta-hydroxy aldehydescarboxylic acid esterscarboxylic acidscyclohexanolsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesmonosaccharidesorganic oxidesquinic acids and derivativestertiary alcohols |
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| Substituents | fatty acylbeta-hydroxy aldehydecarbonyl groupcarboxylic acidalpha-hydroxy acidmonosaccharidecarboxylic acid derivativebeta-hydroxy acidsaccharideorganic oxidealpha-hydroxyaldehydehydrolyzable tanninalcoholcyclohexanolaldehydecyclitol or derivativeshydroxy acidcyclic alcoholfatty acid estertertiary alcoholorganic oxygen compoundcarboxylic acid estersecondary alcoholaliphatic homomonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compoundquinic acid |
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