| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:13 UTC |
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| Update Date | 2025-03-25 00:47:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162923 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H18O11 |
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| Molecular Mass | 338.0849 |
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| SMILES | O=C(CC(O)C(O)C(=O)O)OC1CC(O)(C(=O)O)CC(O)C1O |
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| InChI Key | LFDVTHCAKMHAOF-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 derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidscyclohexanolsfatty acid estershydrocarbon derivativesmonosaccharidesorganic oxidesquinic acids and derivativestertiary alcoholstricarboxylic acids and derivatives |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidalpha-hydroxy acidmonosaccharidetricarboxylic acid or derivativescarboxylic acid derivativebeta-hydroxy acidsaccharideorganic oxidehydrolyzable tanninalcoholcyclohexanolcyclitol or derivativeshydroxy acidcyclic alcoholfatty acid estertertiary alcoholorganic oxygen compoundcarboxylic acid estersecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativeorganooxygen compoundquinic acid |
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