DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:45:09 UTC
Update Date	2025-03-25 00:48:19 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02167406
Frequency	0.5
Structure
Chemical Formula	C₂₃H₂₇NO₁₁
Molecular Mass	493.1584
SMILES	CC(=O)NCC1OC(Oc2cc(O)c3c(c2)OC(c2ccc(O)c(O)c2)C(O)C3)C(O)C(O)C1O
InChI Key	BFKSUEVYEHZION-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	flavonoid glycosides
Direct Parent	flavonoid-7-o-glycosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 3-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids acetals acetamides alkyl aryl ethers benzene and substituted derivatives carbonyl compounds carboxylic acids and derivatives catechins hydrocarbon derivatives monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes phenol ethers secondary alcohols secondary carboxylic acid amides
Substituents	phenol ether monocyclic benzene moiety 3-hydroxyflavonoid carbonyl group ether 1-benzopyran flavan 1-hydroxy-2-unsubstituted benzenoid monosaccharide alkyl aryl ether carboxylic acid derivative saccharide organic oxide acetal aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound chromane catechin oxane flavan-3-ol organoheterocyclic compound acetamide flavonoid-7-o-glycoside alcohol benzopyran 5-hydroxyflavonoid 1-hydroxy-4-unsubstituted benzenoid carboxamide group 3'-hydroxyflavonoid oxacycle secondary carboxylic acid amide organic oxygen compound secondary alcohol 4'-hydroxyflavonoid phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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