| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:54 UTC |
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| Update Date | 2025-03-25 00:55:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02210262 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C31H53NO23 |
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| Molecular Mass | 807.3008 |
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| SMILES | CC(=O)NC1C(O)CC(OC2C(O)C(CO)OC(OC(C(O)CO)C(OC3OC(C)C(O)C(O)C3O)C(O)C=O)C2O)(C(=O)O)CC1C(O)C(O)C(O)CO |
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| InChI Key | PWBJOSOADGRUHW-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 | acetalsacetamidesalkyl glycosidesalpha-hydroxyaldehydescarboxylic acidscyclic alcohols and derivativescyclohexanolsdialkyl ethersfatty acyl glycosides of mono- and disaccharideshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholsquinic acids and derivativessecondary carboxylic acid amides |
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| Substituents | fatty acylfatty acyl glycoside of mono- or disaccharidecarbonyl groupethercarboxylic acidmonosaccharidecarboxylic acid derivativedialkyl ethersaccharideorganic oxidealpha-hydroxyaldehydeacetalaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundacetamidehydrolyzable tanninalcoholfatty acyl glycosidecyclohexanolaldehydecyclic alcoholcarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundalkyl glycosidequinic acid |
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