DeepMet

Record Information
HMDB Status	expected
Creation Date	2024-02-20 23:39:30 UTC
Update Date	2025-03-21 17:58:25 UTC
HMDB ID	HMDB0302564
Metabolite Identification
DeepMet ID	DMID00014308
Name	3-O-Methylkaempferol
Frequency	308.6
Structure
Chemical Formula	C₁₆H₁₂O₆
Molecular Mass	300.0634
SMILES	COc1c(-c2ccc(O)cc2)oc2cc(O)cc(O)c2c1=O
InChI Key	VJJZJBUCDWKPLC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	o-methylated flavonoids
Direct Parent	3-o-methylated flavonoids
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3-methoxychromones 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids alkyl aryl ethers benzene and substituted derivatives flavonoids heteroaromatic compounds hydrocarbon derivatives organic oxides oxacyclic compounds pyranones and derivatives vinylogous acids
Substituents	monocyclic benzene moiety ether 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 3-methoxyflavonoid-skeleton alkyl aryl ether 3-methoxychromone organic oxide chromone aromatic heteropolycyclic compound pyranone organoheterocyclic compound benzopyran heteroaromatic compound 5-hydroxyflavonoid 1-hydroxy-4-unsubstituted benzenoid oxacycle vinylogous acid organic oxygen compound pyran 7-hydroxyflavonoid 4'-hydroxyflavonoid phenol hydrocarbon derivative benzenoid organooxygen compound

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