DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:40:20 UTC
Update Date	2025-03-25 00:46:40 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02156543
Frequency	0.5
Structure
Chemical Formula	C₃₀H₂₈O₁₃
Molecular Mass	596.153
SMILES	O=C1CC(c2ccc(O)cc2)Oc2cc(OC3OC(C(=O)O)C(O)C(O)C3O)c3c(c21)OC(c1ccc(O)cc1)C(O)C3
InChI Key	RHAZHNPBMLWTAV-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-hydroxy-2-unsubstituted benzenoids 3-hydroxyflavonoids 4'-hydroxyflavonoids acetals alkyl aryl ethers aryl alkyl ketones benzene and substituted derivatives beta hydroxy acids and derivatives carboxylic acids chromones flavan-3-ols flavanones flavonoid-7-o-glycosides glucuronic acid derivatives hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes phenol ethers pyran carboxylic acids pyranochromenes pyranoflavonoids secondary alcohols
Substituents	phenol ether monocyclic benzene moiety 3-hydroxyflavonoid carboxylic acid aryl alkyl ketone 1-benzopyran flavanone o-glucuronide monosaccharide pyran carboxylic acid ketone 1-o-glucuronide beta-hydroxy acid saccharide pyranoflavonoid acetal chromone oxane flavan-3-ol organoheterocyclic compound alcohol benzopyran pyranochromene phenol hydrocarbon derivative aryl ketone carbonyl group ether glucuronic acid or derivatives flavan 1-hydroxy-2-unsubstituted benzenoid alkyl aryl ether carboxylic acid derivative organic oxide aromatic heteropolycyclic compound chromane flavonoid-7-o-glycoside pyran carboxylic acid or derivatives hydroxy acid oxacycle monocarboxylic acid or derivatives organic oxygen compound pyran flavonoid-7-o-glucuronide secondary alcohol 4'-hydroxyflavonoid benzenoid organooxygen compound

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