DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:00:50 UTC
Update Date	2025-03-25 00:53:58 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02203126
Frequency	0.5
Structure
Chemical Formula	C₂₁H₂₀O₁₂
Molecular Mass	464.0955
SMILES	O=C1CC(c2ccc(O)cc2O)Oc2cc(OC3C(O)OC(C(=O)O)C(O)C3O)cc(O)c21
InChI Key	YQYKFMLLHDAJDV-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 4'-hydroxyflavonoids 5-hydroxyflavonoids alkyl aryl ethers aryl alkyl ketones benzene and substituted derivatives 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 pyran carboxylic acids resorcinols 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 resorcinol 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 secondary alcohol 4'-hydroxyflavonoid phenol hydrocarbon derivative benzenoid organooxygen compound aryl ketone

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