DeepMet

Record Information
HMDB Status	predicted
Creation Date	2024-02-20 23:56:44 UTC
Update Date	2025-03-21 18:05:03 UTC
HMDB ID	HMDB0134940
Metabolite Identification
DeepMet ID	DMID00054439
Name	5-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-1H-indole-3-carboxylic acid
Frequency	59.1
Structure
Chemical Formula	C₁₅H₁₅NO₉
Molecular Mass	353.0747
SMILES	O=C(O)c1c[nH]c2ccc(OC3OC(C(=O)O)C(O)C(O)C3O)cc12
InChI Key	FQUXXGKVNKSSHQ-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-carboxy-2-haloaromatic compounds acetals azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds dicarboxylic acids and derivatives glucuronic acid derivatives heteroaromatic compounds hydrocarbon derivatives indolecarboxylic acids and derivatives indoles monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes phenol ethers pyran carboxylic acids pyrrole carboxylic acids secondary alcohols vinylogous amides
Substituents	phenol ether carbonyl group carboxylic acid pyrrole-3-carboxylic acid or derivatives indole o-glucuronide monosaccharide carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid organic oxide acetal aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound 1-carboxy-2-haloaromatic compound oxane organoheterocyclic compound indolecarboxylic acid derivative alcohol vinylogous amide pyran carboxylic acid or derivatives azacycle heteroaromatic compound indole or derivatives hydroxy acid oxacycle pyran pyrrole secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound pyrrole-3-carboxylic acid

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