| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:40 UTC |
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| Update Date | 2025-03-21 18:32:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00092409 |
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| Frequency | 30.3 |
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| Structure | |
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| Chemical Formula | C13H22O11 |
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| Molecular Mass | 354.1162 |
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| SMILES | O=CC(O)C(O)C(OC1CC(O)(C(=O)O)CC(O)C1O)C(O)CO |
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| InChI Key | QVNGIULKRNCSQY-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 aldehydescarboxylic acidscyclohexanolsdialkyl ethersfatty alcoholshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesprimary alcoholsquinic acids and derivativestertiary alcohols |
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| Substituents | fatty acylbeta-hydroxy aldehydecarbonyl groupethercarboxylic acidalpha-hydroxy acidmonosaccharidecarboxylic acid derivativedialkyl ethersaccharideorganic oxidealpha-hydroxyaldehydefatty alcoholprimary alcoholhydrolyzable tanninalcoholcyclohexanolaldehydecyclitol or derivativeshydroxy acidcyclic alcoholtertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativeorganooxygen compoundquinic acid |
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