| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:18:36 UTC |
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| Update Date | 2025-03-25 01:00:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02243819 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H19NO10 |
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| Molecular Mass | 349.1009 |
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| SMILES | CC(=O)NC1C(O)CC(O)(C(=O)O)CC1OC(C(=O)O)C(O)C=O |
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| InChI Key | RUAIYGUPKUTZHM-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 homomonocyclic compounds |
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| Alternative Parents | acetamidesalpha hydroxy acids and derivativesalpha-hydroxyaldehydesbeta hydroxy acids and derivativescarbocyclic fatty acidscarboxylic acidscyclohexanolsdialkyl ethersdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsquinic acids and derivativessecondary carboxylic acid amidesshort-chain hydroxy acids and derivativestertiary alcohols |
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| Substituents | fatty acylcarbocyclic fatty acidcarbonyl groupethercarboxylic acidshort-chain hydroxy acidalpha-hydroxy acidmonosaccharidefatty acidcarboxylic acid derivativedialkyl etherbeta-hydroxy acidsaccharideorganic oxidealpha-hydroxyaldehydeorganonitrogen compoundorganopnictogen compoundhydroxy fatty acidacetamidehydrolyzable tanninalcoholcyclohexanolaldehydecyclitol or derivativeshydroxy acidcyclic alcoholcarboxamide groupsecondary carboxylic acid amidetertiary alcoholorganic oxygen compoundsecondary alcoholaliphatic homomonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundquinic acid |
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