DeepMet

Record Information
HMDB Status	predicted
Creation Date	2024-02-21 00:29:12 UTC
Update Date	2025-03-21 18:41:04 UTC
HMDB ID	HMDB0127790
Metabolite Identification
DeepMet ID	DMID00132296
Name	6-[4-(4-carboxybutyl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Frequency	19.1
Structure
Chemical Formula	C₁₈H₂₄O₁₀
Molecular Mass	400.1369
SMILES	COc1cc(CCCCC(=O)O)ccc1OC1OC(C(=O)O)C(O)C(O)C1O
InChI Key	HDSRXEXJFHCXKH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	lipids and lipid-like molecules
Class	saccharolipids
Subclass	saccharolipids
Direct Parent	saccharolipids
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	acetals alkyl aryl ethers anisoles beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives glucuronic acid derivatives heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives methoxybenzenes monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes phenoxy compounds pyran carboxylic acids secondary alcohols
Substituents	fatty acyl phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid glucuronic acid or derivatives aromatic heteromonocyclic compound heterocyclic fatty acid o-glucuronide monosaccharide fatty acid alkyl aryl ether carboxylic acid derivative pyran carboxylic acid medium-chain hydroxy acid 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal medium-chain fatty acid hydroxy fatty acid oxane organoheterocyclic compound alcohol pyran carboxylic acid or derivatives hydroxy acid methoxybenzene oxacycle organic oxygen compound pyran anisole secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative benzenoid phenoxy compound saccharolipid organooxygen compound

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