DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:50:42 UTC
Update Date	2025-03-25 00:50:18 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02180083
Frequency	0.5
Structure
Chemical Formula	C₂₃H₂₈O₁₆
Molecular Mass	560.1377
SMILES	COc1cc(C=CC(=O)OC2CC(O)(C(=O)O)C(OC(C(O)CO)C(O)C(O)C=O)OC2C(=O)O)ccc1O
InChI Key	HJSFCAAHUQDUOE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	lipids and lipid-like molecules
Class	saccharolipids
Subclass	saccharolipids
Direct Parent	saccharolipids
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids acetals alkyl aryl ethers alpha hydroxy acids and derivatives alpha-hydroxyaldehydes anisoles beta-hydroxy aldehydes carboxylic acids enoate esters fatty acid esters fatty alcohols hydrocarbon derivatives hydroxycinnamic acids methoxybenzenes methoxyphenols monosaccharides organic oxides oxacyclic compounds oxanes phenoxy compounds primary alcohols pyran carboxylic acids secondary alcohols tertiary alcohols tricarboxylic acids and derivatives
Substituents	phenol ether monocyclic benzene moiety carboxylic acid methoxyphenol monosaccharide pyran carboxylic acid alpha,beta-unsaturated carboxylic ester saccharide acetal oxane organoheterocyclic compound enoate ester alcohol methoxybenzene fatty acid ester anisole carboxylic acid ester phenol hydrocarbon derivative phenoxy compound fatty acyl carbonyl group beta-hydroxy aldehyde ether aromatic heteromonocyclic compound alpha-hydroxy acid 1-hydroxy-2-unsubstituted benzenoid tricarboxylic acid or derivatives alkyl aryl ether carboxylic acid derivative hydroxycinnamic acid or derivatives cinnamic acid or derivatives organic oxide alpha-hydroxyaldehyde fatty alcohol primary alcohol pyran carboxylic acid or derivatives aldehyde hydroxy acid hydroxycinnamic acid oxacycle tertiary alcohol organic oxygen compound pyran secondary alcohol benzenoid saccharolipid organooxygen compound

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