| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:54 UTC |
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| Update Date | 2025-03-21 18:40:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00131588 |
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| Frequency | 19.2 |
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| Structure | |
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| Chemical Formula | C21H35NO16 |
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| Molecular Mass | 557.1956 |
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| SMILES | CC(=O)NC1C(O)CC(OC2C(O)C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C2O)(C(=O)O)CC1O |
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| InChI Key | PLMVDDOGIBROBW-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 | acetalsacetamidescarbonyl compoundscarboxylic acidscyclohexanolsdialkyl ethershemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholsquinic acids and derivativessecondary carboxylic acid amides |
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| Substituents | carbonyl groupethercarboxylic acidmonosaccharidecarboxylic acid derivativedialkyl ethersaccharideorganic oxideacetalaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetaloxaneprimary alcoholorganoheterocyclic compoundacetamidehydrolyzable tanninalcoholcyclohexanolcyclitol or derivativescyclic alcoholcarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundquinic acid |
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