DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:06:45 UTC
Update Date	2025-03-25 00:56:13 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02216937
Frequency	0.5
Structure
Chemical Formula	C₂₈H₃₀O₁₇
Molecular Mass	638.1483
SMILES	O=C(O)C1(OCC2OC(Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)C2O)CC(O)C(O)C(CO)O1
InChI Key	MVVDQLZVNLXWDM-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 carbonyl compounds carboxylic acids chromones flavonoids heteroaromatic compounds hydrocarbon derivatives ketals monocarboxylic acids and derivatives monosaccharides organic oxides oxacyclic compounds oxanes primary alcohols pyran carboxylic acids pyranones and derivatives secondary alcohols vinylogous acids
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid monosaccharide carboxylic acid derivative pyran carboxylic acid saccharide organic oxide acetal chromone aromatic heteropolycyclic compound ketal flavonoid-3-o-glycoside pyranone oxane primary alcohol organoheterocyclic compound alcohol benzopyran pyran carboxylic acid or derivatives heteroaromatic compound 5-hydroxyflavonoid 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 DMID02216937