| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 16:27:41 UTC |
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| Update Date | 2025-03-25 01:26:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02403146 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C29H48N2O27S2 |
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| Molecular Mass | 920.1886 |
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| SMILES | CC(=O)NC1C(O)CC(OCC2OC(OC3C(COS(=O)(=O)O)OC(OC4C(O)C(O)OC(COS(=O)(=O)O)C4O)C(NC(C)=O)C3O)C(O)C(O)C2O)(C(=O)O)CC1O |
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| InChI Key | ZRWSIUWCWGQDLD-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 sulfatescarbonyl compoundscarboxylic acidscyclohexanolsdialkyl ethershemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesn-acyl-alpha-hexosaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesquinic acids and derivativessecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupethercarboxylic acidmonosaccharidecarboxylic acid derivativedialkyl ethern-acyl-alpha-hexosaminesaccharideorganic oxideacetalalkyl sulfatealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetaloxaneorganoheterocyclic compoundacetamidehydrolyzable tanninalcoholorganic sulfuric acid or derivativescyclohexanolcyclitol or derivativescyclic alcoholcarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholsulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterorganooxygen compoundquinic acid |
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