DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:42:23 UTC
Update Date	2025-03-21 17:59:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00020625
Frequency	196.0
Structure
Chemical Formula	C₂₁H₂₀O₁₁
Molecular Mass	448.1006
SMILES	O=C1CC(c2ccc(OC3C(O)OC(C(=O)O)C(O)C3O)cc2)Oc2cc(O)cc(O)c21
InChI Key	OTYDEEULVMPLKS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	flavans
Direct Parent	flavanones
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,2-diols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 5-hydroxyflavonoids 7-hydroxyflavonoids alkyl aryl ethers aryl alkyl ketones beta hydroxy acids and derivatives carboxylic acids chromones glucuronic acid derivatives hemiacetals hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides organic oxides oxacyclic compounds oxanes phenol ethers phenoxy compounds pyran carboxylic acids secondary alcohols vinylogous acids
Substituents	phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid aryl alkyl ketone glucuronic acid or derivatives 1-benzopyran flavanone 1-hydroxy-2-unsubstituted benzenoid monosaccharide alkyl aryl ether carboxylic acid derivative pyran carboxylic acid ketone beta-hydroxy acid saccharide organic oxide chromone aromatic heteropolycyclic compound chromane hemiacetal oxane organoheterocyclic compound 1,2-diol alcohol benzopyran pyran carboxylic acid or derivatives 5-hydroxyflavonoid hydroxy acid 1-hydroxy-4-unsubstituted benzenoid oxacycle vinylogous acid monocarboxylic acid or derivatives organic oxygen compound pyran 7-hydroxyflavonoid secondary alcohol hydrocarbon derivative benzenoid phenoxy compound organooxygen compound aryl ketone

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