DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:44:11 UTC
Update Date	2025-03-21 18:00:02 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00024749
Frequency	157.0
Structure
Chemical Formula	C₁₆H₁₄O₅
Molecular Mass	286.0841
SMILES	COc1cc(O)cc2c1C(=O)CC(c1ccc(O)cc1)O2
InChI Key	CWZLMWSCLBFCBY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	o-methylated flavonoids
Direct Parent	5-o-methylated flavonoids
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 4'-hydroxyflavonoids 7-hydroxyflavonoids alkyl aryl ethers anisoles aryl alkyl ketones benzene and substituted derivatives chromones flavanones hydrocarbon derivatives organic oxides oxacyclic compounds
Substituents	phenol ether monocyclic benzene moiety ether aryl alkyl ketone 1-benzopyran flavanone flavan 1-hydroxy-2-unsubstituted benzenoid alkyl aryl ether ketone organic oxide chromone aromatic heteropolycyclic compound 5-methoxyflavonoid-skeleton chromane organoheterocyclic compound benzopyran oxacycle organic oxygen compound anisole 7-hydroxyflavonoid 4'-hydroxyflavonoid phenol hydrocarbon derivative benzenoid organooxygen compound aryl ketone

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