DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 11:55:53 UTC
Update Date	2025-03-24 21:24:26 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01767918
Frequency	0.7
Structure
Chemical Formula	C₃₇H₅₅NO₂₄
Molecular Mass	897.3114
SMILES	COc1cc(C=CC(=O)OC2OC(CO)C(O)C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(OC4OC(C)C(O)C(O)C4O)C3NC(C)=O)C2O)cc(OC)c1O
InChI Key	PNNJXFOKIXLXOD-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	acetals acetamides alkyl aryl ethers anisoles carbonyl compounds dimethoxybenzenes enoate esters fatty acid esters hydrocarbon derivatives hydroxycinnamic acids methoxyphenols monocarboxylic acids and derivatives monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes phenoxy compounds primary alcohols secondary alcohols secondary carboxylic acid amides
Substituents	fatty acyl phenol ether monocyclic benzene moiety carbonyl group ether aromatic heteromonocyclic compound methoxyphenol monosaccharide alkyl aryl ether carboxylic acid derivative hydroxycinnamic acid or derivatives n-acyl-alpha-hexosamine dimethoxybenzene alpha,beta-unsaturated carboxylic ester cinnamic acid or derivatives organic oxide acetal organonitrogen compound organopnictogen compound oxane primary alcohol organoheterocyclic compound acetamide enoate ester alcohol carboxamide group methoxybenzene hydroxycinnamic acid oxacycle secondary carboxylic acid amide fatty acid ester monocarboxylic acid or derivatives m-dimethoxybenzene anisole carboxylic acid ester secondary alcohol phenol hydrocarbon derivative benzenoid organic nitrogen compound phenoxy compound

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