DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:04:34 UTC
Update Date	2025-03-25 00:55:22 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02211918
Frequency	0.5
Structure
Chemical Formula	C₃₁H₄₅NO₂₁
Molecular Mass	767.2484
SMILES	CC(=O)NC1C(OC2C(O)C(OC(=O)CCC(O)Cc3ccc(O)c(O)c3)OC(C(=O)O)C2O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1O
InChI Key	AYKMHUFFHPMOGD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	n-acyl-alpha-hexosamines
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids acetals acetamides benzene and substituted derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acid esters carboxylic acids dicarboxylic acids and derivatives fatty acid esters glucuronic acid derivatives hydrocarbon derivatives monosaccharides o-glucuronides 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 glucuronic acid or derivatives aromatic heteromonocyclic compound o-glucuronide 1-hydroxy-2-unsubstituted benzenoid monosaccharide carboxylic acid derivative pyran carboxylic acid n-acyl-alpha-hexosamine 1-o-glucuronide beta-hydroxy acid organic oxide acetal organonitrogen compound organopnictogen compound oxane primary alcohol organoheterocyclic compound acetamide alcohol pyran carboxylic acid or derivatives hydroxy acid 1-hydroxy-4-unsubstituted benzenoid carboxamide group 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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