DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:31 UTC
Update Date	2025-03-25 00:54:32 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02206964
Frequency	0.5
Structure
Chemical Formula	C₁₅H₁₅NO₁₀
Molecular Mass	369.0696
SMILES	O=C(O)C1OC(Oc2cc3ccc(=O)[nH]c3c(O)c2O)C(O)C(O)C1O
InChI Key	FROHRWIVCUVAFD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	o-glucuronides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-4-unsubstituted benzenoids 2-halopyridines 8-hydroxyquinolines acetals azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acids glucuronic acid derivatives heteroaromatic compounds hydrocarbon derivatives hydroquinolines hydroquinolones hydroxypyridines lactams monocarboxylic acids and derivatives monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes phenol ethers polyhalopyridines pyran carboxylic acids pyridinones secondary alcohols
Substituents	phenol ether carbonyl group lactam carboxylic acid polyhalopyridine o-glucuronide monosaccharide carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid organic oxide acetal aromatic heteropolycyclic compound organonitrogen compound quinoline organopnictogen compound 2-halopyridine oxane organoheterocyclic compound alcohol pyran carboxylic acid or derivatives 8-hydroxyquinoline azacycle heteroaromatic compound hydroxypyridine dihydroquinoline hydroxy acid 1-hydroxy-4-unsubstituted benzenoid oxacycle monocarboxylic acid or derivatives dihydroquinolone pyridine pyran secondary alcohol hydrocarbon derivative benzenoid organic nitrogen compound pyridinone

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