DeepMet

Record Information
HMDB Status	predicted
Creation Date	2024-02-20 23:59:55 UTC
Update Date	2025-03-21 18:06:14 UTC
HMDB ID	HMDB0127820
Metabolite Identification
DeepMet ID	DMID00062036
Name	3-hydroxy-2-(3-methoxyphenyl)-7-(sulfinooxy)-3,4-dihydro-2H-1-benzopyran-5-olate
Frequency	50.1
Structure
Chemical Formula	C₁₆H₁₆O₇S
Molecular Mass	352.0617
SMILES	COc1cccc(C2Oc3cc(OS(=O)O)cc(O)c3CC2O)c1
InChI Key	XZLXLDIIKCIORP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	o-methylated flavonoids
Direct Parent	3'-o-methylated flavonoids
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3-hydroxyflavonoids 5-hydroxyflavonoids alkyl aryl ethers anisoles flavan-3-ols hydrocarbon derivatives methoxybenzenes organic oxides oxacyclic compounds phenoxy compounds secondary alcohols
Substituents	phenol ether monocyclic benzene moiety 3-hydroxyflavonoid ether 1-benzopyran flavan 1-hydroxy-2-unsubstituted benzenoid alkyl aryl ether organic oxide aromatic heteropolycyclic compound chromane flavan-3-ol organoheterocyclic compound alcohol benzopyran 5-hydroxyflavonoid 1-hydroxy-4-unsubstituted benzenoid methoxybenzene 3p-methoxyflavonoid-skeleton oxacycle organic oxygen compound anisole secondary alcohol hydrocarbon derivative benzenoid phenoxy compound organooxygen compound

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