| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:57 UTC |
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| Update Date | 2025-03-25 00:57:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224356 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H32O16 |
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| Molecular Mass | 516.169 |
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| SMILES | O=C(O)C1(O)CC(OC2OC(CO)C(O)C(O)C2O)C(O)C(OC2C(CO)OC(O)C(O)C2O)C1 |
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| InChI Key | VRMHVTZLUZLMHL-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 acidscyclohexanolsdialkyl ethershemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesprimary alcoholsquinic acids and derivativestertiary alcohols |
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| Substituents | carbonyl groupethercarboxylic acidalpha-hydroxy acidmonosaccharidecarboxylic acid derivativedialkyl ethersaccharideorganic oxideacetalaliphatic heteromonocyclic compoundhemiacetaloxaneprimary alcoholorganoheterocyclic compoundhydrolyzable tanninalcoholcyclohexanolcyclitol or derivativeshydroxy acidcyclic alcoholoxacycletertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganooxygen compoundquinic acid |
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