DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:06:29 UTC
Update Date	2025-03-21 18:29:30 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00077764
Frequency	37.7
Structure
Chemical Formula	C₁₅H₁₃NO₄
Molecular Mass	271.0845
SMILES	Nc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)cc1
InChI Key	BXASVAYPSNQOHG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	flavans
Direct Parent	flavanones
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 5-hydroxyflavonoids 7-hydroxyflavonoids alkyl aryl ethers aryl alkyl ketones benzene and substituted derivatives chromones hydrocarbon derivatives organic oxides organopnictogen compounds oxacyclic compounds primary amines vinylogous acids
Substituents	monocyclic benzene moiety ether aryl alkyl ketone 1-benzopyran flavanone 1-hydroxy-2-unsubstituted benzenoid alkyl aryl ether ketone organic oxide chromone aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound chromane organoheterocyclic compound benzopyran 5-hydroxyflavonoid 1-hydroxy-4-unsubstituted benzenoid oxacycle vinylogous acid organic oxygen compound 7-hydroxyflavonoid hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound aryl ketone

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