DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:14:40 UTC
Update Date	2025-03-21 18:33:43 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00097228
Frequency	28.4
Structure
Chemical Formula	C₃₁H₄₀N₂O₆
Molecular Mass	536.2886
SMILES	Cc1ccc(-c2c(C(C)C)c(C(O)=Nc3ccccc3O)c(C(C)C)n2CCC(O)CC(O)CC(=O)O)cc1
InChI Key	FRKAICJSJHCHEV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	hydroxy acids and derivatives
Subclass	medium-chain hydroxy acids and derivatives
Direct Parent	medium-chain hydroxy acids and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids amino fatty acids azacyclic compounds 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 monocarboxylic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds propargyl-type 1,3-dipolar organic compounds secondary alcohols substituted pyrroles toluenes
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 substituted pyrrole carboxylic acid derivative medium-chain hydroxy acid propargyl-type 1,3-dipolar organic compound beta-hydroxy acid organic oxide organonitrogen compound organopnictogen compound medium-chain fatty acid hydroxy fatty acid organoheterocyclic compound alcohol azacycle heteroaromatic compound organic 1,3-dipolar compound 1-hydroxy-4-unsubstituted benzenoid amino fatty acid monocarboxylic acid or derivatives organic oxygen compound pyrrole secondary alcohol phenol hydrocarbon derivative benzenoid organic nitrogen compound toluene organooxygen compound

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