DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:33 UTC
Update Date	2025-03-25 00:54:32 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02207037
Frequency	0.5
Structure
Chemical Formula	C₂₈H₃₀O₁₈
Molecular Mass	654.1432
SMILES	O=C(O)C1C(OCC2OC(Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)C2O)OC(CO)C(O)C1O
InChI Key	NFRHGCOOJVSLPU-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 3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids acetals benzene and substituted derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acids chromones flavonoids heteroaromatic compounds hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides organic oxides oxacyclic compounds oxanes primary alcohols pyranones and derivatives secondary alcohols vinylogous acids
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid monosaccharide carboxylic acid derivative beta-hydroxy acid saccharide organic oxide acetal chromone aromatic heteropolycyclic compound flavonoid-3-o-glycoside pyranone oxane primary alcohol organoheterocyclic compound alcohol benzopyran heteroaromatic compound 5-hydroxyflavonoid hydroxy acid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid oxacycle vinylogous acid monocarboxylic acid or derivatives organic oxygen compound pyran 7-hydroxyflavonoid secondary alcohol 4'-hydroxyflavonoid phenol hydrocarbon derivative benzenoid organooxygen compound

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