DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:22:51 UTC
Update Date	2025-03-21 18:37:47 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00117255
Frequency	22.4
Structure
Chemical Formula	C₂₆H₃₁N₃O₆
Molecular Mass	481.2213
SMILES	CC(C)c1c(C(O)=Nc2ccccc2O)c(-c2ccccc2)nn1CCC(O)CC(O)CC(=O)O
InChI Key	FYORHWNRCZXMBE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	azoles
Subclass	pyrazoles
Direct Parent	phenylpyrazoles
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids amino fatty acids azacyclic compounds benzene and substituted derivatives beta hydroxy acids and derivatives carbonyl compounds carboximidic acids carboxylic acids heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives monocarboxylic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds propargyl-type 1,3-dipolar organic compounds secondary alcohols
Substituents	fatty acyl carboximidic acid monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound heterocyclic fatty acid 1-hydroxy-2-unsubstituted benzenoid fatty acid carboxylic acid derivative medium-chain hydroxy acid propargyl-type 1,3-dipolar organic compound phenylpyrazole beta-hydroxy acid organic oxide organonitrogen compound organopnictogen compound medium-chain fatty acid hydroxy fatty acid alcohol azacycle heteroaromatic compound organic 1,3-dipolar compound hydroxy acid 1-hydroxy-4-unsubstituted benzenoid amino fatty acid monocarboxylic acid or derivatives organic oxygen compound secondary alcohol phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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