| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:41:07 UTC |
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| Update Date | 2025-03-21 17:58:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00017801 |
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| Frequency | 235.2 |
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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=C(O)C1(O)CC(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1 |
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| InChI Key | DMCKSIDZMBAADT-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 derivativescarbonyl compoundscarboxylic acidscyclohexanolshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesprimary alcoholsquinic acids and derivativestertiary alcohols |
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| Substituents | carbonyl groupcarboxylic acidalpha-hydroxy acidmonosaccharidecarboxylic acid derivativesaccharideorganic oxideacetalaliphatic heteromonocyclic compoundoxaneprimary alcoholorganoheterocyclic compoundhydrolyzable tanninalcoholcyclohexanolcyclitol or derivativeshydroxy acidcyclic alcoholoxacycletertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganooxygen compoundquinic acid |
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