DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:15:01 UTC
Update Date	2025-03-25 00:59:12 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02235690
Frequency	0.5
Structure
Chemical Formula	C₁₉H₂₂O₉
Molecular Mass	394.1264
SMILES	COc1cc(C=CC(=O)O)ccc1OC1OC(C(=O)O)C(C(=O)O)C(C)C1C
InChI Key	JVCSFXKFGBVFOO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	cinnamic acids and derivatives
Subclass	cinnamic acids and derivatives
Direct Parent	cinnamic acids and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	acetals alkyl aryl ethers anisoles carbonyl compounds carboxylic acids hydrocarbon derivatives methoxybenzenes organic oxides oxacyclic compounds oxanes phenoxy compounds pyran carboxylic acids tricarboxylic acids and derivatives
Substituents	phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid aromatic heteromonocyclic compound tricarboxylic acid or derivatives alkyl aryl ether carboxylic acid derivative pyran carboxylic acid cinnamic acid or derivatives organic oxide acetal oxane organoheterocyclic compound pyran carboxylic acid or derivatives methoxybenzene oxacycle organic oxygen compound pyran anisole hydrocarbon derivative benzenoid phenoxy compound organooxygen compound

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