DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:54:17 UTC
Update Date	2025-03-25 00:51:38 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02188272
Frequency	0.5
Structure
Chemical Formula	C₁₉H₂₅NO₁₁
Molecular Mass	443.1428
SMILES	CC(O)=NC1C(O)OC(C(=O)O)C(O)C1OC(=O)CCC(O)Cc1ccc(O)c(O)c1
InChI Key	RDRYVIYNLHIDBP-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 benzene and substituted derivatives beta hydroxy acids and derivatives carbonyl compounds carboximidic acids carboxylic acid esters carboxylic acids dicarboxylic acids and derivatives fatty acid esters hemiacetals hydrocarbon derivatives monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes propargyl-type 1,3-dipolar organic compounds pyran carboxylic acids secondary alcohols
Substituents	fatty acyl carboximidic acid monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound 1-hydroxy-2-unsubstituted benzenoid monosaccharide carboxylic acid derivative pyran carboxylic acid n-acyl-alpha-hexosamine propargyl-type 1,3-dipolar organic compound beta-hydroxy acid organic oxide organonitrogen compound organopnictogen compound hemiacetal oxane organoheterocyclic compound alcohol pyran carboxylic acid or derivatives organic 1,3-dipolar compound hydroxy acid 1-hydroxy-4-unsubstituted benzenoid oxacycle fatty acid ester pyran carboxylic acid ester secondary alcohol dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid organic nitrogen compound

Showing information for DMID02188272