DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:43:14 UTC
Update Date	2025-03-25 00:47:37 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02162963
Frequency	0.5
Structure
Chemical Formula	C₂₇H₂₈O₁₄
Molecular Mass	576.1479
SMILES	O=C(C=Cc1ccc(O)c(O)c1)OCOC(=O)C1OC(Oc2cc(O)cc(CC3CCC(=O)O3)c2)C(O)C(O)C1O
InChI Key	XGXIKVQVOORVPN-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	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids acetals acylals beta hydroxy acids and derivatives carbonyl compounds enoate esters fatty acid esters gamma butyrolactones glucuronic acid derivatives hydrocarbon derivatives hydroxycinnamic acids monosaccharides organic oxides oxacyclic compounds oxanes phenol ethers phenoxy compounds pyran carboxylic acids secondary alcohols tetrahydrofurans tricarboxylic acids and derivatives
Substituents	fatty acyl phenol ether monocyclic benzene moiety carbonyl group aromatic heteromonocyclic compound o-glucuronide 1-hydroxy-2-unsubstituted benzenoid monosaccharide tricarboxylic acid or derivatives carboxylic acid derivative pyran carboxylic acid hydroxycinnamic acid or derivatives lactone 1-o-glucuronide acylal alpha,beta-unsaturated carboxylic ester cinnamic acid or derivatives beta-hydroxy acid organic oxide acetal oxane organoheterocyclic compound enoate ester alcohol pyran carboxylic acid or derivatives tetrahydrofuran hydroxy acid 1-hydroxy-4-unsubstituted benzenoid gamma butyrolactone hydroxycinnamic acid oxacycle fatty acid ester pyran carboxylic acid ester secondary alcohol phenol hydrocarbon derivative benzenoid phenoxy compound

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