DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:33 UTC
Update Date	2025-03-25 00:54:33 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02207070
Frequency	0.5
Structure
Chemical Formula	C₂₁H₂₂O₁₂
Molecular Mass	466.1111
SMILES	O=C(O)C1(Oc2cc(O)c3c(c2)OC(c2ccc(O)c(O)c2)C(O)C3)CC(O)C(O)C(O)O1
InChI Key	CKPQOCGLGLTDSE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	flavonoid glycosides
Direct Parent	flavonoid-7-o-glycosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 3-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids alkyl aryl ethers carbonyl compounds carboxylic acids catechins hemiacetals hydrocarbon derivatives ketals monocarboxylic acids and derivatives organic oxides oxacyclic compounds oxanes phenol ethers phenoxyacetic acid derivatives pyran carboxylic acids secondary alcohols
Substituents	phenol ether monocyclic benzene moiety phenoxyacetate 3-hydroxyflavonoid carbonyl group ether carboxylic acid 1-benzopyran flavan 1-hydroxy-2-unsubstituted benzenoid alkyl aryl ether carboxylic acid derivative pyran carboxylic acid organic oxide acetal aromatic heteropolycyclic compound ketal chromane hemiacetal catechin oxane flavan-3-ol organoheterocyclic compound flavonoid-7-o-glycoside alcohol benzopyran pyran carboxylic acid or derivatives 5-hydroxyflavonoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid oxacycle monocarboxylic acid or derivatives organic oxygen compound pyran secondary alcohol 4'-hydroxyflavonoid phenol hydrocarbon derivative benzenoid organooxygen compound

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