DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:09:01 UTC
Update Date	2025-03-25 00:57:02 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02222221
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₃NO₈
Molecular Mass	345.1424
SMILES	OCC1OC(O)(CNCCc2ccc(O)c(O)c2)C(O)C(O)C1O
InChI Key	VPNCYUKQDSOQMW-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-hydroxy-4-unsubstituted benzenoids benzene and substituted derivatives dialkylamines hemiacetals hydrocarbon derivatives monosaccharides organopnictogen compounds oxacyclic compounds oxanes primary alcohols secondary alcohols
Substituents	monocyclic benzene moiety aromatic heteromonocyclic compound 1-hydroxy-2-unsubstituted benzenoid monosaccharide saccharide organonitrogen compound organopnictogen compound hemiacetal oxane primary alcohol organoheterocyclic compound alcohol secondary aliphatic amine 1-hydroxy-4-unsubstituted benzenoid secondary amine oxacycle organic oxygen compound secondary alcohol hydrocarbon derivative organic nitrogen compound organooxygen compound amine

Showing information for DMID02222221