DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:20:18 UTC
Update Date	2025-03-25 01:01:13 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02247803
Frequency	0.5
Structure
Chemical Formula	C₂₆H₂₄O₁₄
Molecular Mass	560.1166
SMILES	COc1cc(C=CC(=O)OC2CC(OC(=O)C=Cc3ccc(O)c(O)c3)(C(=O)O)OC(C(=O)O)C2O)ccc1O
InChI Key	UNEYFZUXOVEONQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	tetracarboxylic acids and derivatives
Direct Parent	tetracarboxylic acids and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids alkyl aryl ethers anisoles beta hydroxy acids and derivatives carbonyl compounds carboxylic acids enoate esters fatty acid esters hydrocarbon derivatives hydroxycinnamic acids ketals methoxybenzenes methoxyphenols monosaccharides organic oxides oxacyclic compounds oxanes phenoxy compounds pyran carboxylic acids secondary alcohols
Substituents	fatty acyl phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid aromatic heteromonocyclic compound 1-hydroxy-2-unsubstituted benzenoid methoxyphenol monosaccharide alkyl aryl ether pyran carboxylic acid hydroxycinnamic acid or derivatives alpha,beta-unsaturated carboxylic ester cinnamic acid or derivatives beta-hydroxy acid saccharide organic oxide acetal ketal oxane organoheterocyclic compound enoate ester alcohol pyran carboxylic acid or derivatives tetracarboxylic acid or derivatives hydroxy acid 1-hydroxy-4-unsubstituted benzenoid methoxybenzene hydroxycinnamic acid oxacycle fatty acid ester organic oxygen compound pyran anisole carboxylic acid ester secondary alcohol phenol hydrocarbon derivative benzenoid phenoxy compound organooxygen compound

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