DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:43:08 UTC
Update Date	2025-03-25 00:47:35 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02162747
Frequency	0.5
Structure
Chemical Formula	C₂₁H₂₂O₁₀
Molecular Mass	434.1213
SMILES	O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1OCC1OC(=O)C(O)C(O)C1O
InChI Key	XHRUDAUZXFAZHJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	linear 1,3-diarylpropanoids
Subclass	chalcones and dihydrochalcones
Direct Parent	2'-hydroxy-dihydrochalcones
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids alkyl aryl ethers alkyl-phenylketones aryl alkyl ketones benzoyl derivatives butyrophenones carboxylic acid esters cinnamylphenols delta valerolactones gluconolactones hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides organic oxides oxacyclic compounds oxanes phenol ethers phenoxy compounds resorcinols secondary alcohols vinylogous acids
Substituents	phenol ether monocyclic benzene moiety carbonyl group ether 2'-hydroxy-dihydrochalcone aryl alkyl ketone aromatic heteromonocyclic compound delta valerolactone benzoyl 1-hydroxy-2-unsubstituted benzenoid monosaccharide cinnamylphenol alkyl aryl ether carboxylic acid derivative resorcinol ketone lactone saccharide organic oxide gluconolactone oxane delta_valerolactone organoheterocyclic compound alcohol 1-hydroxy-4-unsubstituted benzenoid phenylketone butyrophenone oxacycle vinylogous acid monocarboxylic acid or derivatives organic oxygen compound carboxylic acid ester secondary alcohol phenol hydrocarbon derivative benzenoid phenoxy compound alkyl-phenylketone organooxygen compound aryl ketone

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