DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:07:43 UTC
Update Date	2025-03-25 00:56:33 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02219180
Frequency	0.5
Structure
Chemical Formula	C₁₈H₁₆NO₂+
Molecular Mass	278.1176
SMILES	COc1ccc2cc3[n+](cc2c1)CCc1cccc(O)c1-3
InChI Key	GAJXDLXMAWJMDN-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	alkaloids and derivatives
Class	protoberberine alkaloids and derivatives
Subclass	protoberberine alkaloids and derivatives
Direct Parent	protoberberine alkaloids and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 2-halopyridines alkyl aryl ethers anisoles azacyclic compounds heteroaromatic compounds hydrocarbon derivatives hydroxypyridines isoquinolines and derivatives methylpyridines organic cations organonitrogen compounds organopnictogen compounds polyhalopyridines quinolizines
Substituents	tetrahydroprotoberberine skeleton phenol ether ether polyhalopyridine 1-hydroxy-2-unsubstituted benzenoid alkyl aryl ether aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound 2-halopyridine organic cation organoheterocyclic compound quinolizine azacycle heteroaromatic compound hydroxypyridine methylpyridine 1-hydroxy-4-unsubstituted benzenoid protoberberine skeleton pyridine organic oxygen compound anisole isoquinoline hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

Showing information for DMID02219180