DeepMet

Record Information
HMDB Status	predicted
Creation Date	2024-02-20 23:34:11 UTC
Update Date	2025-03-21 17:56:31 UTC
HMDB ID	HMDB0127893
Metabolite Identification
DeepMet ID	DMID00001899
Name	4-(3,5-dihydroxy-7-sulfino-3,4-dihydro-2H-1-benzopyran-2-yl)-2-hydroxybenzen-1-olate
Frequency	3202.1
Structure
Chemical Formula	C₁₅H₁₄O₇S
Molecular Mass	338.046
SMILES	O=S(O)c1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2
InChI Key	NURRSIOKVZRXFL-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 5-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 5-hydroxyflavonoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid oxacycle organic oxygen compound secondary alcohol 4'-hydroxyflavonoid phenol hydrocarbon derivative benzenoid organooxygen compound

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