DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:40:27 UTC
Update Date	2025-03-25 00:46:43 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02156815
Frequency	0.5
Structure
Chemical Formula	C₂₈H₂₄O₁₄
Molecular Mass	584.1166
SMILES	O=C(OCC1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)CC(O)C1O)c1ccc(O)c(O)c1
InChI Key	CGXNDUZIVPFVLZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	flavonoid glycosides
Direct Parent	flavonoid-3-o-glycosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,2-diols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids acetals benzoyl derivatives carboxylic acid esters chromones flavonoids heteroaromatic compounds hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides organic oxides oxacyclic compounds oxanes pyranones and derivatives secondary alcohols vinylogous acids m-hydroxybenzoic acid esters p-hydroxybenzoic acid alkyl esters
Substituents	monocyclic benzene moiety 1-benzopyran p-hydroxybenzoic acid ester benzoyl 1-hydroxy-2-unsubstituted benzenoid monosaccharide benzoate ester carboxylic acid derivative saccharide organic oxide acetal chromone aromatic heteropolycyclic compound flavonoid-3-o-glycoside pyranone oxane m-hydroxybenzoic acid ester organoheterocyclic compound 1,2-diol alcohol benzopyran heteroaromatic compound 5-hydroxyflavonoid benzoic acid or derivatives 1-hydroxy-4-unsubstituted benzenoid p-hydroxybenzoic acid alkyl ester 3'-hydroxyflavonoid oxacycle vinylogous acid monocarboxylic acid or derivatives organic oxygen compound pyran 7-hydroxyflavonoid carboxylic acid ester secondary alcohol 4'-hydroxyflavonoid phenol hydrocarbon derivative benzenoid organooxygen compound

Showing information for DMID02156815