DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:43:22 UTC
Update Date	2025-03-25 00:47:40 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02163284
Frequency	0.5
Structure
Chemical Formula	C₁₈H₂₀N₂O₈S
Molecular Mass	424.094
SMILES	O=C(O)C1=CC(=CC=NC(Cc2ccc(O)cc2)CS(=O)(=O)O)CC(C(=O)O)N1
InChI Key	RZBPOMUMIBLYFQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	benzene and substituted derivatives
Subclass	phenethylamines
Direct Parent	amphetamines and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids aldimines alpha amino acids amino acids azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives hydrocarbon derivatives organic oxides organopnictogen compounds organosulfonic acids propargyl-type 1,3-dipolar organic compounds sulfonyls tetrahydropyridines
Substituents	organosulfonic acid or derivatives carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid or derivatives amino acid imine organosulfonic acid 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives organosulfur compound carboxylic acid derivative propargyl-type 1,3-dipolar organic compound aldimine organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound amphetamine or derivatives secondary aliphatic amine azacycle tetrahydropyridine organic 1,3-dipolar compound secondary amine sulfonyl organic oxygen compound organic sulfonic acid or derivatives dicarboxylic acid or derivatives phenol hydrocarbon derivative organic nitrogen compound organooxygen compound amine

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