DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:40:20 UTC
Update Date	2025-03-25 00:46:39 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02156565
Frequency	0.5
Structure
Chemical Formula	C₂₁H₂₀O₁₂
Molecular Mass	464.0955
SMILES	O=C1CC(c2ccc(O)c(O)c2)Oc2cc(OC3OC(O)C(C(=O)O)C(O)C3O)cc(O)c21
InChI Key	PYMNSDCEPPVCIX-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	1,2-diols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids acetals alkyl aryl ethers aryl alkyl ketones benzene and substituted derivatives beta hydroxy acids and derivatives carboxylic acids chromones flavanones hemiacetals hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides organic oxides oxacyclic compounds oxanes phenol ethers secondary alcohols vinylogous acids
Substituents	phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid aryl alkyl ketone 1-benzopyran flavanone flavan 1-hydroxy-2-unsubstituted benzenoid monosaccharide alkyl aryl ether carboxylic acid derivative ketone beta-hydroxy acid saccharide organic oxide acetal chromone aromatic heteropolycyclic compound chromane hemiacetal oxane organoheterocyclic compound 1,2-diol flavonoid-7-o-glycoside alcohol benzopyran 5-hydroxyflavonoid hydroxy acid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid oxacycle vinylogous acid monocarboxylic acid or derivatives organic oxygen compound secondary alcohol 4'-hydroxyflavonoid phenol hydrocarbon derivative benzenoid organooxygen compound aryl ketone

Showing information for DMID02156565