DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:00:34 UTC
Update Date	2025-03-25 00:53:52 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02202521
Frequency	0.5
Structure
Chemical Formula	C₁₆H₁₇NO₁₀
Molecular Mass	383.0852
SMILES	O=C(O)c1cc(=O)c2c(OC3OC(CO)C(O)C(O)C3O)c(O)ccc2[nH]1
InChI Key	RHGPJGWMJZUWGO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	quinolines and derivatives
Subclass	quinoline carboxylic acids
Direct Parent	quinoline carboxylic acids
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 2-halopyridines acetals azacyclic compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives hydroquinolines hydroquinolones hydroxypyridines hydroxyquinolines monocarboxylic acids and derivatives monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes phenol ethers polyhalopyridines primary alcohols pyridine-2-carboxylic acids secondary alcohols vinylogous amides vinylogous esters
Substituents	pyridine carboxylic acid or derivatives phenol ether carboxylic acid polyhalopyridine 1-hydroxy-2-unsubstituted benzenoid monosaccharide carboxylic acid derivative saccharide organic oxide pyridine-2-carboxylic acid acetal aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound 2-halopyridine oxane primary alcohol alcohol vinylogous amide azacycle vinylogous ester heteroaromatic compound hydroxypyridine dihydroquinoline hydroxyquinoline oxacycle monocarboxylic acid or derivatives dihydroquinolone pyridine organic oxygen compound pyridine carboxylic acid secondary alcohol quinoline-2-carboxylic acid hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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