DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:46:57 UTC
Update Date	2025-03-25 00:49:01 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02171474
Frequency	0.5
Structure
Chemical Formula	C₁₇H₁₇NO₄
Molecular Mass	299.1158
SMILES	CN(C)c1ccc(C2COc3cc(O)cc(O)c3C2=O)cc1
InChI Key	MFXJCBAPFSJKBH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	isoflavonoids
Subclass	isoflavans
Direct Parent	isoflavanones
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids alkyl aryl ethers aniline and substituted anilines aryl alkyl ketones chromones dialkylarylamines hydrocarbon derivatives organic oxides organopnictogen compounds oxacyclic compounds vinylogous acids
Substituents	monocyclic benzene moiety ether aryl alkyl ketone 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid alkyl aryl ether isoflavanone ketone organic oxide chromone aromatic heteropolycyclic compound tertiary aliphatic/aromatic amine organonitrogen compound organopnictogen compound chromane dialkylarylamine tertiary amine organoheterocyclic compound benzopyran aniline or substituted anilines 1-hydroxy-4-unsubstituted benzenoid oxacycle vinylogous acid organic oxygen compound hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound aryl ketone

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