DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:49 UTC
Update Date	2025-03-25 00:54:39 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02207701
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₂O₁₀
Molecular Mass	386.1213
SMILES	O=C(CCC(O)Cc1ccc(O)c(O)c1)OC1(C(=O)O)CC(O)C(CO)O1
InChI Key	VNUZWWAPVOMJQM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	lipids and lipid-like molecules
Class	fatty acyls
Subclass	fatty acid esters
Direct Parent	fatty acid esters
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids benzene and substituted derivatives carbonyl compounds carboxylic acid esters carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives ketals monosaccharides organic oxides oxacyclic compounds primary alcohols secondary alcohols tetrahydrofurans
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound 1-hydroxy-2-unsubstituted benzenoid monosaccharide carboxylic acid derivative saccharide organic oxide acetal ketal primary alcohol organoheterocyclic compound alcohol tetrahydrofuran 1-hydroxy-4-unsubstituted benzenoid oxacycle fatty acid ester organic oxygen compound carboxylic acid ester secondary alcohol dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid organooxygen compound

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