DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:15:49 UTC
Update Date	2025-03-25 00:59:29 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02237416
Frequency	0.5
Structure
Chemical Formula	C₁₇H₁₈O₁₂
Molecular Mass	414.0798
SMILES	O=C1CC2Oc3cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc(O)c3C(O)C2O1
InChI Key	GHFIAZMYYJYACI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	lipids and lipid-like molecules
Class	fatty acyls
Subclass	fatty acyl glycosides
Direct Parent	fatty acyl glycosides of mono- and disaccharides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids acetals alkyl aryl ethers alkyl glycosides beta hydroxy acids and derivatives carbonyl compounds carboxylic acid esters carboxylic acids dicarboxylic acids and derivatives gamma butyrolactones glucuronic acid derivatives hydrocarbon derivatives monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes phenol ethers pyran carboxylic acids secondary alcohols tetrahydrofurans
Substituents	fatty acyl glycoside of mono- or disaccharide phenol ether carbonyl group ether carboxylic acid glucuronic acid or derivatives 1-benzopyran o-glucuronide 1-hydroxy-2-unsubstituted benzenoid monosaccharide alkyl aryl ether carboxylic acid derivative pyran carboxylic acid lactone 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal aromatic heteropolycyclic compound chromane oxane organoheterocyclic compound alcohol benzopyran pyran carboxylic acid or derivatives tetrahydrofuran hydroxy acid 1-hydroxy-4-unsubstituted benzenoid gamma butyrolactone oxacycle organic oxygen compound pyran carboxylic acid ester secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organooxygen compound alkyl glycoside

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