DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:35 UTC
Update Date	2025-03-25 00:54:34 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02207116
Frequency	0.5
Structure
Chemical Formula	C₁₅H₁₇NO₁₀
Molecular Mass	371.0852
SMILES	O=C(O)C1Cc2c(cc(O)cc2OC2OC(C(=O)O)C(O)C(O)C2O)N1
InChI Key	JZMGBEGTRRCVFD-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-2-unsubstituted benzenoids acetals alpha amino acids amino acids azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives glucuronic acid derivatives hydrocarbon derivatives indolecarboxylic acids indoles indolines monosaccharides organic oxides organopnictogen compounds oxacyclic compounds oxanes phenol ethers pyran carboxylic acids secondary alcohols secondary alkylarylamines
Substituents	phenol ether carbonyl group carboxylic acid amino acid or derivatives amino acid indole o-glucuronide 1-hydroxy-2-unsubstituted benzenoid monosaccharide alpha-amino acid or derivatives carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid organic oxide acetal aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound oxane dihydroindole organoheterocyclic compound indolecarboxylic acid derivative alcohol pyran carboxylic acid or derivatives azacycle indole or derivatives hydroxy acid secondary amine secondary aliphatic/aromatic amine oxacycle pyran indolecarboxylic acid secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound amine

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