DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:15:28 UTC
Update Date	2025-03-25 00:59:22 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02236647
Frequency	0.5
Structure
Chemical Formula	C₂₄H₂₅NO₄
Molecular Mass	391.1784
SMILES	COc1ccc2c3c1OC1C(c4ccc(O)c(O)c4)C=CC4C(C2)N(C)CCC341
InChI Key	ZTULGVCCVMSPDX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	alkaloids and derivatives
Class	morphinans
Subclass	morphinans
Direct Parent	morphinans
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids alkyl aryl ethers anisoles azacyclic compounds benzene and substituted derivatives coumarans hydrocarbon derivatives organopnictogen compounds oxacyclic compounds phenanthrenes and derivatives piperidines tetralins trialkylamines
Substituents	tetralin phenol ether monocyclic benzene moiety ether 1-hydroxy-2-unsubstituted benzenoid alkyl aryl ether aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound piperidine tertiary amine organoheterocyclic compound coumaran phenanthrene azacycle tertiary aliphatic amine 1-hydroxy-4-unsubstituted benzenoid oxacycle organic oxygen compound anisole phenol hydrocarbon derivative benzenoid organic nitrogen compound morphinan amine organooxygen compound

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