DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:09:56 UTC
Update Date	2025-03-25 00:57:22 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02224332
Frequency	0.5
Structure
Chemical Formula	C₂₅H₂₆N₂O₈
Molecular Mass	482.1689
SMILES	O=C(O)C1=CC(=CC=NC(Cc2ccc(O)cc2)C(O)Cc2ccc(O)c(O)c2)CC(C(=O)O)N1
InChI Key	DAPYRXNMKSQLQT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	lignans, neolignans and related compounds
Class	Not Available
Subclass	lignans, neolignans and related compounds
Direct Parent	lignans, neolignans and related compounds
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids aldimines alpha amino acids amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives hydrocarbon derivatives organic oxides organopnictogen compounds propargyl-type 1,3-dipolar organic compounds secondary alcohols tetrahydropyridines
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid or derivatives amino acid imine 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives norlignan skeleton 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 alcohol secondary aliphatic amine azacycle tetrahydropyridine organic 1,3-dipolar compound 1-hydroxy-4-unsubstituted benzenoid secondary amine organic oxygen compound secondary alcohol dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound amine

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