DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:03:54 UTC
Update Date	2025-03-25 00:55:03 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02210296
Frequency	0.5
Structure
Chemical Formula	C₃₁H₃₇NO₁₈
Molecular Mass	711.2011
SMILES	CC(=O)NC1C(O)C(O)C(OCC2OC(Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)C2O)OC1C(O)C(O)CO
InChI Key	KSOJGJUVAVJFOR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	flavonoid glycosides
Direct Parent	flavonoid-3-o-glycosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids acetals acetamides benzene and substituted derivatives carbonyl compounds carboxylic acids and derivatives chromones flavonoids heteroaromatic compounds hydrocarbon derivatives monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols pyranones and derivatives secondary alcohols secondary carboxylic acid amides vinylogous acids
Substituents	monocyclic benzene moiety carbonyl group 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid monosaccharide carboxylic acid derivative saccharide organic oxide acetal chromone aromatic heteropolycyclic compound flavonoid-3-o-glycoside organonitrogen compound pyranone organopnictogen compound oxane primary alcohol organoheterocyclic compound acetamide alcohol benzopyran heteroaromatic compound 5-hydroxyflavonoid 1-hydroxy-4-unsubstituted benzenoid carboxamide group oxacycle secondary carboxylic acid amide vinylogous acid organic oxygen compound pyran 7-hydroxyflavonoid secondary alcohol 4'-hydroxyflavonoid phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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