DeepMet

Record Information
HMDB Status	predicted
Creation Date	2024-02-20 23:35:17 UTC
Update Date	2025-03-21 17:56:55 UTC
HMDB ID	HMDB0140590
Metabolite Identification
DeepMet ID	DMID00004534
Name	5-hydroxy-2-(4-hydroxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one
Frequency	1239.2
Structure
Chemical Formula	C₂₁H₂₂O₁₀
Molecular Mass	434.1213
SMILES	O=C1CC(c2ccc(O)cc2)Oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c21
InChI Key	DLIKSSGEMUFQOK-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-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 4'-hydroxyflavonoids 5-hydroxyflavonoids acetals alkyl aryl ethers aryl alkyl ketones benzene and substituted derivatives chromones flavanones hydrocarbon derivatives monosaccharides organic oxides oxacyclic compounds oxanes phenol ethers primary alcohols secondary alcohols vinylogous acids
Substituents	phenol ether monocyclic benzene moiety ether aryl alkyl ketone 1-benzopyran flavanone flavan 1-hydroxy-2-unsubstituted benzenoid monosaccharide alkyl aryl ether ketone saccharide organic oxide acetal chromone aromatic heteropolycyclic compound chromane oxane primary alcohol organoheterocyclic compound flavonoid-7-o-glycoside alcohol benzopyran 5-hydroxyflavonoid 1-hydroxy-4-unsubstituted benzenoid oxacycle vinylogous acid organic oxygen compound secondary alcohol 4'-hydroxyflavonoid phenol hydrocarbon derivative benzenoid organooxygen compound aryl ketone

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