| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:24 UTC |
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| Update Date | 2025-03-25 00:59:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238737 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H18O10 |
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| Molecular Mass | 322.09 |
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| SMILES | O=C(O)C1OC(OC2CC(O)(C(=O)O)CC(O)C2O)CC1O |
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| InChI Key | SNVFWKXNTZWOAH-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 | acetalsalpha hydroxy acids and derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclohexanolsdicarboxylic acids and derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsquinic acids and derivativestertiary alcoholstetrahydrofurans |
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| Substituents | carbonyl groupcarboxylic acidalpha-hydroxy acidmonosaccharidecarboxylic acid derivativebeta-hydroxy acidsaccharideorganic oxideacetalaliphatic heteromonocyclic compoundorganoheterocyclic compoundhydrolyzable tanninalcoholtetrahydrofurancyclohexanolcyclitol or derivativeshydroxy acidcyclic alcoholoxacycletertiary alcoholorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compoundquinic acid |
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