DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:37 UTC
Update Date	2025-03-25 00:51:24 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02186758
Frequency	0.5
Structure
Chemical Formula	C₁₈H₂₉NO₇
Molecular Mass	371.1944
SMILES	OCC1OC(O)(CNCCCCC(O)Cc2cccc(O)c2)C(O)C1O
InChI Key	YOPOGWPCQHBQJQ-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 primary alcohols secondary alcohols tetrahydrofurans
Substituents	monocyclic benzene moiety aromatic heteromonocyclic compound 1-hydroxy-2-unsubstituted benzenoid monosaccharide saccharide organonitrogen compound organopnictogen compound hemiacetal primary alcohol organoheterocyclic compound alcohol secondary aliphatic amine tetrahydrofuran 1-hydroxy-4-unsubstituted benzenoid secondary amine oxacycle organic oxygen compound secondary alcohol hydrocarbon derivative organic nitrogen compound organooxygen compound amine

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