DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:08:25 UTC
Update Date	2025-03-25 00:56:48 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02220833
Frequency	0.5
Structure
Chemical Formula	C₂₅H₂₂O₁₂
Molecular Mass	514.1111
SMILES	O=C1CC(c2ccc(O)cc2)Oc2cc(O)c3c(O)cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc3c21
InChI Key	IVZKNKWWPZRTPP-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-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 4'-hydroxyflavonoids 7-hydroxyflavonoids acetals alkyl aryl ethers aryl alkyl ketones benzene and substituted derivatives benzochromones beta hydroxy acids and derivatives carboxylic acids glucuronic acid derivatives hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides naphthols and derivatives naphthopyrans o-glucuronides organic oxides oxacyclic compounds oxanes phenol ethers pyran carboxylic acids secondary alcohols
Substituents	phenol ether monocyclic benzene moiety carboxylic acid aryl alkyl ketone 1-benzopyran flavanone o-glucuronide monosaccharide pyran carboxylic acid ketone 1-o-glucuronide beta-hydroxy acid saccharide acetal chromone benzochromone oxane organoheterocyclic compound alcohol benzopyran naphthalene 7-hydroxyflavonoid phenol hydrocarbon derivative aryl ketone 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 oxacycle naphthopyran monocarboxylic acid or derivatives organic oxygen compound pyran secondary alcohol 4'-hydroxyflavonoid 1-naphthol benzenoid organooxygen compound

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