DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 17:11:23 UTC
Update Date	2025-03-25 01:44:52 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02505681
Frequency	0.5
Structure
Chemical Formula	C₃₇H₅₅NO₂₄
Molecular Mass	897.3114
SMILES	CC(=O)NC1C(OC2C(O)C(COC3OC(CO)C(O)C(O)C3O)OC(Oc3ccc(CC4CCC(=O)O4)cc3O)C2O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1O
InChI Key	LCZJNZGHOHOLME-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 alkyl glycosides carbonyl compounds carboxylic acid esters fatty acyl glycosides of mono- and disaccharides gamma butyrolactones hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes phenol ethers phenoxy compounds primary alcohols secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	fatty acyl glycoside of mono- or disaccharide phenol ether monocyclic benzene moiety carbonyl group aromatic heteromonocyclic compound 1-hydroxy-2-unsubstituted benzenoid monosaccharide carboxylic acid derivative n-acyl-alpha-hexosamine lactone organic oxide acetal organonitrogen compound organopnictogen compound oxane primary alcohol organoheterocyclic compound acetamide alcohol tetrahydrofuran 1-hydroxy-4-unsubstituted benzenoid carboxamide group gamma butyrolactone oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives carboxylic acid ester secondary alcohol phenol hydrocarbon derivative benzenoid organic nitrogen compound phenoxy compound alkyl glycoside

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