DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:33 UTC
Update Date	2025-03-25 00:54:33 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02207067
Frequency	0.5
Structure
Chemical Formula	C₂₈H₃₀O₁₉
Molecular Mass	670.1381
SMILES	O=C(O)C1(OCC2OC(Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)C2O)OC(C(O)O)C(O)C(O)C1O
InChI Key	UVJXDVRYZQRABP-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-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids benzene and substituted derivatives beta hydroxy acids and derivatives carbonyl compounds carbonyl hydrates carboxylic acids chromones flavonoids glucuronic acid derivatives heteroaromatic compounds hydrocarbon derivatives ketals monocarboxylic acids and derivatives monosaccharides organic oxides oxacyclic compounds oxanes pyran carboxylic acids pyranones and derivatives secondary alcohols vinylogous acids
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid glucuronic acid or derivatives carbonyl hydrate 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid monosaccharide carboxylic acid derivative pyran carboxylic acid beta-hydroxy acid saccharide organic oxide acetal chromone aromatic heteropolycyclic compound ketal flavonoid-3-o-glycoside pyranone oxane organoheterocyclic compound alcohol benzopyran pyran carboxylic acid or derivatives heteroaromatic compound 5-hydroxyflavonoid hydroxy acid 1-hydroxy-4-unsubstituted benzenoid oxacycle vinylogous acid monocarboxylic acid or derivatives organic oxygen compound pyran 7-hydroxyflavonoid secondary alcohol 4'-hydroxyflavonoid phenol hydrocarbon derivative benzenoid organooxygen compound

Showing information for DMID02207067