DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:21:05 UTC
Update Date	2025-03-25 01:01:29 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02249589
Frequency	0.5
Structure
Chemical Formula	C₂₁H₂₆N₂O₇
Molecular Mass	418.174
SMILES	Cc1c(C(O)=Nc2ccccc2O)c(C(C)C)n(CC(O)C(=O)O)c1CCC(=O)O
InChI Key	AVRDCNZSRBHTJJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	phenols
Subclass	1-hydroxy-2-unsubstituted benzenoids
Direct Parent	1-hydroxy-2-unsubstituted benzenoids
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-4-unsubstituted benzenoids alpha hydroxy acids and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboximidic acids carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives organic oxides organonitrogen compounds organopnictogen compounds propargyl-type 1,3-dipolar organic compounds secondary alcohols substituted pyrroles
Substituents	carboximidic acid monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound alpha-hydroxy acid 1-hydroxy-2-unsubstituted benzenoid substituted pyrrole carboxylic acid derivative propargyl-type 1,3-dipolar organic compound organic oxide organonitrogen compound organopnictogen compound organoheterocyclic compound alcohol azacycle heteroaromatic compound organic 1,3-dipolar compound hydroxy acid 1-hydroxy-4-unsubstituted benzenoid organic oxygen compound pyrrole secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound

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