DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:08:25 UTC
Update Date	2025-03-25 00:56:48 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02220835
Frequency	0.5
Structure
Chemical Formula	C₂₇H₂₈O₁₇
Molecular Mass	624.1326
SMILES	O=C1CC(c2ccc(O)cc2)c2c(cc(OC3OC(C(=O)O)C(O)C(O)C3O)cc2OC2OC(C(=O)O)C(O)C(O)C2O)O1
InChI Key	KSICAMXQCXZEKU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	neoflavonoids
Subclass	neoflavonoid 7-o-glycosides
Direct Parent	neoflavonoid 7-o-glycosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 3,4-dihydrocoumarins acetals benzene and substituted derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acid esters carboxylic acids coumarin glycosides glucuronic acid derivatives hydrocarbon derivatives lactones monosaccharides neoflavans o-glucuronides organic oxides oxacyclic compounds oxanes phenol ethers pyran carboxylic acids secondary alcohols tricarboxylic acids and derivatives
Substituents	neoflavan coumarin-7-o-glycoside phenol ether monocyclic benzene moiety carbonyl group carboxylic acid coumarin o-glycoside glucuronic acid or derivatives coumarin-5-o-glycoside 1-benzopyran o-glucuronide 1-hydroxy-2-unsubstituted benzenoid monosaccharide tricarboxylic acid or derivatives 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 3,4-dihydrocoumarin hydroxy acid coumarin neoflavonoid-7-o-glycoside oxacycle organic oxygen compound pyran carboxylic acid ester secondary alcohol phenol hydrocarbon derivative benzenoid organooxygen compound

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