DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:58:22 UTC
Update Date	2025-03-21 18:05:40 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00058287
Frequency	54.2
Structure
Chemical Formula	C₁₁H₁₂O₆
Molecular Mass	240.0634
SMILES	O=C1OC(Cc2ccc(O)c(O)c2)C(O)C1O
InChI Key	WAMPTJBUGNBZBY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	phenols
Subclass	1-hydroxy-2-unsubstituted benzenoids
Direct Parent	1-hydroxy-2-unsubstituted benzenoids
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1,2-diols 1-hydroxy-4-unsubstituted benzenoids benzene and substituted derivatives carbonyl compounds carboxylic acid esters gamma butyrolactones hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides organic oxides oxacyclic compounds secondary alcohols tetrahydrofurans
Substituents	monocyclic benzene moiety carbonyl group aromatic heteromonocyclic compound 1-hydroxy-2-unsubstituted benzenoid monosaccharide carboxylic acid derivative lactone saccharide organic oxide organoheterocyclic compound 1,2-diol alcohol tetrahydrofuran 1-hydroxy-4-unsubstituted benzenoid gamma butyrolactone oxacycle monocarboxylic acid or derivatives organic oxygen compound carboxylic acid ester secondary alcohol hydrocarbon derivative organooxygen compound

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