DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:08:35 UTC
Update Date	2025-03-25 00:56:52 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02221202
Frequency	0.5
Structure
Chemical Formula	C₂₃H₂₄O₁₁
Molecular Mass	476.1319
SMILES	O=C(O)C1OC(Oc2ccc3c(c2)OC2C(COC2c2ccc(O)c(O)c2)C3)C(O)C(O)C1O
InChI Key	NSBFWYIRTQHBLD-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 benzene and substituted derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dialkyl ethers glucuronic acid derivatives hydrocarbon derivatives monocarboxylic acids and 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 monocyclic benzene moiety 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 dialkyl ether 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 oxacycle monocarboxylic acid or derivatives organic oxygen compound pyran secondary alcohol phenol hydrocarbon derivative benzenoid organooxygen compound alkyl glycoside

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