DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:31 UTC
Update Date	2025-03-25 00:54:32 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02206982
Frequency	0.5
Structure
Chemical Formula	C₂₈H₃₄O₁₆
Molecular Mass	626.1847
SMILES	O=C(O)C1OC(OCC2CC(Oc3cc(C4Oc5cc(O)cc(O)c5CC4O)ccc3O)C(O)C(O)C2O)C(O)C(O)C1O
InChI Key	MJHOOFLUTTYRKW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	flavans
Direct Parent	catechins
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids acetals alkyl aryl ethers beta hydroxy acids and derivatives carbonyl compounds carboxylic acids cyclitols and derivatives cyclohexanols glucuronic acid derivatives hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes phenol ethers phenoxy compounds pyran carboxylic acids
Substituents	phenol ether monocyclic benzene moiety 3-hydroxyflavonoid carboxylic acid 1-benzopyran o-glucuronide monosaccharide pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid saccharide acetal catechin oxane organoheterocyclic compound alcohol benzopyran cyclohexanol 5-hydroxyflavonoid cyclitol or derivatives 7-hydroxyflavonoid phenol hydrocarbon derivative phenoxy compound carbonyl group ether glucuronic acid or derivatives 1-hydroxy-2-unsubstituted benzenoid alkyl aryl ether carboxylic acid derivative organic oxide aromatic heteropolycyclic compound chromane pyran carboxylic acid or derivatives hydroxy acid 1-hydroxy-4-unsubstituted benzenoid cyclic alcohol oxacycle monocarboxylic acid or derivatives organic oxygen compound pyran secondary alcohol 4'-hydroxyflavonoid benzenoid organooxygen compound

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