DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:59:55 UTC
Update Date	2025-03-25 00:53:39 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02201091
Frequency	0.5
Structure
Chemical Formula	C₁₇H₁₈O₆S
Molecular Mass	350.0824
SMILES	COc1cc(C2Oc3cc(SC)cc(O)c3CC2O)cc(O)c1O
InChI Key	POZBGZXZHBTPEO-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 3-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids alkyl aryl ethers alkylarylthioethers anisoles flavan-3-ols hydrocarbon derivatives methoxybenzenes methoxyphenols oxacyclic compounds phenoxy compounds secondary alcohols sulfenyl compounds thiophenol ethers thiophenols
Substituents	phenol ether monocyclic benzene moiety 3-hydroxyflavonoid ether 1-benzopyran flavan methoxyphenol 1-hydroxy-2-unsubstituted benzenoid alkyl aryl ether alkylarylthioether organosulfur compound aryl thioether thiophenol aromatic heteropolycyclic compound thiophenol ether chromane flavan-3-ol organoheterocyclic compound alcohol benzopyran sulfenyl compound 5-hydroxyflavonoid 1-hydroxy-4-unsubstituted benzenoid methoxybenzene 3p-methoxyflavonoid-skeleton 3'-hydroxyflavonoid oxacycle organic oxygen compound thioether anisole secondary alcohol 4'-hydroxyflavonoid phenol hydrocarbon derivative benzenoid phenoxy compound organooxygen compound

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