DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:40:22 UTC
Update Date	2025-03-25 00:46:40 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02156616
Frequency	0.5
Structure
Chemical Formula	C₂₁H₂₀O₁₃
Molecular Mass	480.0904
SMILES	O=C1CC(O)(c2ccc(O)c(O)c2)Oc2cc(O)cc(OC3OC(C(=O)O)C(O)C(O)C3O)c21
InChI Key	JFSOTNARUZYVMG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	flavonoid glycosides
Direct Parent	flavonoid o-glucuronides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 4'-hydroxyflavonoids 7-hydroxyflavonoids acetals aryl alkyl ketones benzene and substituted derivatives beta hydroxy acids and derivatives carboxylic acids chromones flavans glucuronic acid derivatives hemiacetals hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes phenol ethers pyran carboxylic acids secondary alcohols
Substituents	phenol ether monocyclic benzene moiety carbonyl group carboxylic acid aryl alkyl ketone glucuronic acid or derivatives 1-benzopyran flavan o-glucuronide 1-hydroxy-2-unsubstituted benzenoid monosaccharide carboxylic acid derivative pyran carboxylic acid flavonoid-5-o-glucuronide ketone 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal chromone aromatic heteropolycyclic compound chromane hemiacetal oxane organoheterocyclic compound alcohol benzopyran pyran carboxylic acid or derivatives hydroxy acid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid oxacycle monocarboxylic acid or derivatives organic oxygen compound pyran 7-hydroxyflavonoid secondary alcohol 4'-hydroxyflavonoid phenol hydrocarbon derivative benzenoid organooxygen compound aryl ketone

Showing information for DMID02156616