DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:59:43 UTC
Update Date	2025-03-25 00:53:35 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02200636
Frequency	0.5
Structure
Chemical Formula	C₂₈H₃₂O₂₁S
Molecular Mass	736.1157
SMILES	COc1ccc(C2Oc3cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc(OS(=O)(=O)O)c3CC2O)cc1OC1OC(C(=O)O)C(O)C(O)C1O
InChI Key	FRHXFQIYMGYIAW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	flavonoid glycosides
Direct Parent	flavonoid-7-o-glucuronides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-benzopyrans 3-hydroxyflavonoids 4'-o-methylated flavonoids acetals alkyl aryl ethers anisoles arylsulfates beta hydroxy acids and derivatives carbonyl compounds carboxylic acids catechins dicarboxylic acids and derivatives flavonoid-7-o-glycosides glucuronic acid derivatives hydrocarbon derivatives methoxybenzenes monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes phenoxy compounds pyran carboxylic acids secondary alcohols sulfuric acid monoesters
Substituents	phenol ether monocyclic benzene moiety 3-hydroxyflavonoid carboxylic acid 1-benzopyran o-glucuronide monosaccharide pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid saccharide acetal catechin oxane flavan-3-ol organoheterocyclic compound alcohol benzopyran methoxybenzene anisole dicarboxylic acid or derivatives 4p-methoxyflavonoid-skeleton hydrocarbon derivative phenoxy compound sulfuric acid monoester carbonyl group ether glucuronic acid or derivatives flavan alkyl aryl ether carboxylic acid derivative organic oxide aromatic heteropolycyclic compound chromane arylsulfate flavonoid-7-o-glycoside pyran carboxylic acid or derivatives organic sulfuric acid or derivatives hydroxy acid oxacycle organic oxygen compound pyran flavonoid-7-o-glucuronide secondary alcohol sulfate-ester benzenoid sulfuric acid ester organooxygen compound

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