DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:54:35 UTC
Update Date	2025-03-21 18:04:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00049536
Frequency	66.6
Structure
Chemical Formula	C₂₇H₃₀O₁₈
Molecular Mass	642.1432
SMILES	O=C(O)C1OC(Oc2cc(O)cc(C3Oc4cc(OC5OC(C(=O)O)C(O)C(O)C5O)cc(O)c4CC3O)c2)C(O)C(O)C1O
InChI Key	NWQPEQRKXOILAH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	flavonoid glycosides
Direct Parent	flavonoid-7-o-glucuronides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 3-hydroxyflavonoids 5-hydroxyflavonoids acetals alkyl aryl ethers beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives flavan-3-ols flavonoid-7-o-glycosides glucuronic acid derivatives hydrocarbon derivatives monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes phenol ethers phenoxy compounds pyran carboxylic acids secondary alcohols
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 oxane flavan-3-ol organoheterocyclic compound alcohol benzopyran 5-hydroxyflavonoid dicarboxylic acid or derivatives phenol hydrocarbon derivative phenoxy compound carbonyl group ether glucuronic acid or derivatives flavan 1-hydroxy-2-unsubstituted benzenoid alkyl aryl ether carboxylic acid derivative organic oxide aromatic heteropolycyclic compound chromane flavonoid-7-o-glycoside pyran carboxylic acid or derivatives hydroxy acid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid oxacycle organic oxygen compound pyran flavonoid-7-o-glucuronide secondary alcohol benzenoid organooxygen compound

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