DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:48:17 UTC
Update Date	2025-03-25 00:49:29 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02174531
Frequency	0.5
Structure
Chemical Formula	C₂₇H₃₇NO₁₈
Molecular Mass	663.2011
SMILES	CC(=O)NC1C(O)CC(OC2C(O)C(CO)OC(OCOC(=O)C=Cc3ccc(O)c(O)c3)C2O)(C(=O)O)OC1C(O)C(O)CO
InChI Key	IIYSDZCVAWNTQH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	c-glucuronides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids acetamides benzene and substituted derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives enoate esters fatty acid esters hydrocarbon derivatives hydroxycinnamic acids ketals monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols pyran carboxylic acids secondary alcohols secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound 1-hydroxy-2-unsubstituted benzenoid monosaccharide carboxylic acid derivative pyran carboxylic acid hydroxycinnamic acid or derivatives alpha,beta-unsaturated carboxylic ester cinnamic acid or derivatives organic oxide acetal ketal organonitrogen compound organopnictogen compound oxane primary alcohol organoheterocyclic compound acetamide enoate ester c-glucuronide alcohol pyran carboxylic acid or derivatives 1-hydroxy-4-unsubstituted benzenoid carboxamide group hydroxycinnamic acid oxacycle secondary carboxylic acid amide fatty acid ester pyran carboxylic acid ester secondary alcohol dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid organic nitrogen compound

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