DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:39:21 UTC
Update Date	2025-03-25 00:46:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02154322
Frequency	0.5
Structure
Chemical Formula	C₂₅H₃₄O₁₈
Molecular Mass	622.1745
SMILES	COc1cc(C=CC(=O)OC2OC(C(OC3OC(C(=O)O)C(O)C(O)C3O)C(O)CO)C(O)C(O)C2O)cc(OC)c1O
InChI Key	ZEJAUOJHHUNWBP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	o-glucuronides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	acetals alkyl aryl ethers anisoles beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives dimethoxybenzenes enoate esters fatty acid esters glucuronic acid derivatives hydrocarbon derivatives hydroxycinnamic acids methoxyphenols monosaccharides organic oxides oxacyclic compounds oxanes phenoxy compounds primary alcohols pyran carboxylic acids secondary alcohols
Substituents	fatty acyl phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid aromatic heteromonocyclic compound o-glucuronide methoxyphenol monosaccharide alkyl aryl ether carboxylic acid derivative pyran carboxylic acid hydroxycinnamic acid or derivatives 1-o-glucuronide dimethoxybenzene alpha,beta-unsaturated carboxylic ester cinnamic acid or derivatives beta-hydroxy acid organic oxide acetal oxane primary alcohol organoheterocyclic compound enoate ester alcohol pyran carboxylic acid or derivatives hydroxy acid methoxybenzene hydroxycinnamic acid oxacycle fatty acid ester m-dimethoxybenzene pyran anisole carboxylic acid ester secondary alcohol dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid phenoxy compound

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