DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:15:10 UTC
Update Date	2025-03-25 00:59:15 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02236000
Frequency	0.5
Structure
Chemical Formula	C₂₂H₂₃NO₁₁
Molecular Mass	477.1271
SMILES	COc1ccc(C2CC(=O)c3c(O)cc(NC4OC(C(=O)O)C(O)C(O)C4O)cc3O2)cc1O
InChI Key	UFWFRKRUSXLLAB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	o-methylated flavonoids
Direct Parent	4'-o-methylated flavonoids
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 5-hydroxyflavonoids alkyl aryl ethers amino acids anisoles aryl alkyl ketones beta hydroxy acids and derivatives carboxylic acids chromones flavanones glucuronic acid derivatives hydrocarbon derivatives methoxybenzenes methoxyphenols monocarboxylic acids and derivatives monosaccharides n-glucuronides organic oxides organopnictogen compounds oxacyclic compounds oxanes phenoxy compounds pyran carboxylic acids secondary alcohols secondary alkylarylamines vinylogous acids
Substituents	phenol ether monocyclic benzene moiety carboxylic acid aryl alkyl ketone 1-benzopyran amino acid or derivatives flavanone methoxyphenol monosaccharide pyran carboxylic acid n-glucuronide ketone beta-hydroxy acid saccharide chromone organonitrogen compound oxane organoheterocyclic compound alcohol benzopyran 5-hydroxyflavonoid methoxybenzene secondary aliphatic/aromatic amine vinylogous acid anisole 4p-methoxyflavonoid-skeleton phenol hydrocarbon derivative phenoxy compound amine aryl ketone carbonyl group ether glucuronic acid or derivatives amino acid flavan 1-hydroxy-2-unsubstituted benzenoid alkyl aryl ether carboxylic acid derivative organic oxide aromatic heteropolycyclic compound organopnictogen compound chromane pyran carboxylic acid or derivatives hydroxy acid 1-hydroxy-4-unsubstituted benzenoid secondary amine 3'-hydroxyflavonoid oxacycle monocarboxylic acid or derivatives organic oxygen compound pyran secondary alcohol benzenoid organic nitrogen compound organooxygen compound

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