DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:50:16 UTC
Update Date	2025-03-25 00:50:09 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02179103
Frequency	0.5
Structure
Chemical Formula	C₂₃H₂₂O₁₂
Molecular Mass	490.1111
SMILES	COc1ccc(C2CC(=O)c3c(ccc(O)c3OC3OC(C(=O)O)C(O)C(O)C3O)C2=O)cc1O
InChI Key	RUZGXYLDOMWNEV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	naphthalenes
Subclass	phenylnaphthalenes
Direct Parent	phenylnaphthalenes
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids acetals alkyl aryl ethers anisoles aryl alkyl ketones beta hydroxy acids and derivatives carboxylic acids glucuronic acid derivatives hydrocarbon derivatives methoxybenzenes methoxyphenols monocarboxylic acids and derivatives monosaccharides naphthoquinones o-glucuronides organic oxides oxacyclic compounds oxanes phenoxy compounds pyran carboxylic acids quinones secondary alcohols tetralins
Substituents	tetralin phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid aryl alkyl ketone glucuronic acid or derivatives o-glucuronide 1-hydroxy-2-unsubstituted benzenoid methoxyphenol monosaccharide alkyl aryl ether carboxylic acid derivative pyran carboxylic acid ketone 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal aromatic heteropolycyclic compound oxane organoheterocyclic compound alcohol pyran carboxylic acid or derivatives hydroxy acid 1-hydroxy-4-unsubstituted benzenoid methoxybenzene oxacycle monocarboxylic acid or derivatives organic oxygen compound pyran phenylnaphthalene anisole secondary alcohol phenol hydrocarbon derivative phenoxy compound naphthoquinone organooxygen compound aryl ketone quinone

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