DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:00:49 UTC
Update Date	2025-03-25 00:53:57 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02203098
Frequency	0.5
Structure
Chemical Formula	C₂₇H₂₇ClO₁₇
Molecular Mass	658.0937
SMILES	O=C1CC(c2cc(O)cc(Cl)c2)Oc2cc(OC3OC(C(=O)O)C(O)C(O)C3O)cc(OC3OC(C(=O)O)C(O)C(O)C3O)c21
InChI Key	FCSYFDJNFLULIV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	flavonoid glycosides
Direct Parent	flavonoid-7-o-glucuronides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids acetals alkyl aryl ethers aryl alkyl ketones aryl chlorides beta hydroxy acids and derivatives carboxylic acids chlorobenzenes chromones dicarboxylic acids and derivatives flavanones flavonoid-7-o-glycosides glucuronic acid derivatives halophenols hydrocarbon derivatives m-chlorophenols monosaccharides o-glucuronides organic oxides organochlorides oxacyclic compounds oxanes phenol ethers pyran carboxylic acids secondary alcohols
Substituents	phenol ether monocyclic benzene moiety carboxylic acid aryl alkyl ketone 1-benzopyran flavanone organochloride o-glucuronide monosaccharide pyran carboxylic acid ketone 1-o-glucuronide beta-hydroxy acid saccharide acetal chromone oxane organoheterocyclic compound aryl chloride chlorobenzene alcohol 3-chlorophenol benzopyran aryl halide dicarboxylic acid or derivatives phenol hydrocarbon derivative halobenzene aryl ketone carbonyl group ether glucuronic acid or derivatives flavan 1-hydroxy-2-unsubstituted benzenoid alkyl aryl ether carboxylic acid derivative organohalogen compound organic oxide aromatic heteropolycyclic compound chromane flavonoid-7-o-glycoside 3-halophenol pyran carboxylic acid or derivatives hydroxy acid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid oxacycle organic oxygen compound pyran flavonoid-7-o-glucuronide secondary alcohol benzenoid organooxygen compound

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