DeepMet

Record Information
HMDB Status	predicted
Creation Date	2024-02-20 23:33:47 UTC
Update Date	2025-03-21 17:56:23 UTC
HMDB ID	HMDB0127795
Metabolite Identification
DeepMet ID	DMID00000935
Name	2-(3,4-dihydroxyphenyl)-3-hydroxy-5-sulfino-3,4-dihydro-2H-1-benzopyran-7-olate
Frequency	6072.8
Structure
Chemical Formula	C₁₅H₁₄O₇S
Molecular Mass	338.046
SMILES	O=S(O)c1cc(O)cc2c1CC(O)C(c1ccc(O)c(O)c1)O2
InChI Key	YIBPOLQDYSZGGE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	hydroxyflavonoids
Direct Parent	3-hydroxyflavonoids
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 4'-hydroxyflavonoids 7-hydroxyflavonoids alkyl aryl ethers benzene and substituted derivatives flavan-3-ols hydrocarbon derivatives organic oxides organosulfur compounds oxacyclic compounds secondary alcohols sulfinic acids
Substituents	monocyclic benzene moiety 3-hydroxyflavonoid ether 1-benzopyran flavan sulfinic acid derivative 1-hydroxy-2-unsubstituted benzenoid alkyl aryl ether organosulfur compound sulfinic acid organic oxide aromatic heteropolycyclic compound chromane flavan-3-ol organoheterocyclic compound alcohol benzopyran 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid oxacycle organic oxygen compound 7-hydroxyflavonoid secondary alcohol 4'-hydroxyflavonoid phenol hydrocarbon derivative benzenoid organooxygen compound

Showing information for DMID00000935