DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:39:22 UTC
Update Date	2025-03-25 00:46:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02154369
Frequency	0.5
Structure
Chemical Formula	C₂₃H₃₀O₁₄
Molecular Mass	530.1636
SMILES	COc1cc(C=CC(=O)OC2C(O)CC(O)(COC3OC(C(=O)O)C(O)C(O)C3O)CC2O)ccc1O
InChI Key	KHIZNOIGJWZAAU-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 acetals alkyl aryl ethers anisoles beta hydroxy acids and derivatives carbonyl compounds carboxylic acids cyclitols and derivatives cyclohexanols dicarboxylic acids and derivatives enoate esters fatty acid esters glucuronic acid derivatives hydrocarbon derivatives hydroxycinnamic acids methoxybenzenes methoxyphenols monosaccharides organic oxides oxacyclic compounds oxanes phenoxy compounds pyran carboxylic acids tertiary alcohols
Substituents	phenol ether monocyclic benzene moiety carboxylic acid o-glucuronide methoxyphenol monosaccharide pyran carboxylic acid 1-o-glucuronide alpha,beta-unsaturated carboxylic ester beta-hydroxy acid acetal oxane organoheterocyclic compound enoate ester alcohol cyclohexanol cyclitol or derivatives methoxybenzene fatty acid ester anisole carboxylic acid ester dicarboxylic acid or derivatives phenol hydrocarbon derivative phenoxy compound fatty acyl carbonyl group ether aromatic heteromonocyclic compound 1-hydroxy-2-unsubstituted benzenoid alkyl aryl ether carboxylic acid derivative hydroxycinnamic acid or derivatives cinnamic acid or derivatives organic oxide pyran carboxylic acid or derivatives hydroxy acid cyclic alcohol hydroxycinnamic acid oxacycle tertiary alcohol pyran secondary alcohol benzenoid

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