| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:50 UTC |
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| Update Date | 2025-03-25 00:58:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02228418 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C27H45NO21 |
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| Molecular Mass | 719.2484 |
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| SMILES | CC(=O)NC1C(O)CC(OCC2OC(OC3C(OC(C(O)CO)C(O)C(O)C=O)OC(CO)C(O)C3O)C(O)C(O)C2O)(C(=O)O)CC1O |
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| InChI Key | XCJJVHCLIVDLFM-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-hydroxyaldehydesbeta-hydroxy aldehydescarboxylic acidscyclohexanolsdialkyl 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 disaccharidebeta-hydroxy aldehydecarbonyl groupethercarboxylic acidmonosaccharidecarboxylic acid derivativedialkyl ethersaccharideorganic oxidealpha-hydroxyaldehydeacetalaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundacetamidehydrolyzable tanninalcoholfatty acyl glycosidecyclohexanolaldehydecyclitol or derivativescyclic alcoholcarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundalkyl glycosidequinic acid |
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