DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:56:51 UTC
Update Date	2025-03-25 00:52:28 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02194016
Frequency	0.5
Structure
Chemical Formula	C₂₉H₃₉ClN₁₂O₂
Molecular Mass	622.3007
SMILES	CN1c2c(nc(N)[nH]c2=O)NCC1CNc1ccc(C(=O)NCCCCCCNC(=N)NC(=N)Nc2ccc(Cl)cc2)cc1
InChI Key	MDIIDAKDTFJVFC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic nitrogen compounds
Class	organonitrogen compounds
Subclass	guanidines
Direct Parent	1-arylbiguanides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	amino acids and derivatives aryl chlorides azacyclic compounds benzamides benzoyl derivatives carboximidamides carboxylic acids and derivatives chlorobenzenes dialkylarylamines heteroaromatic compounds hydrocarbon derivatives imidolactams imines lactams organic oxides organochlorides organooxygen compounds organopnictogen compounds phenylalkylamines primary amines pterins and derivatives pyrimidones secondary alkylarylamines secondary carboxylic acid amides vinylogous amides
Substituents	monocyclic benzene moiety lactam amino acid or derivatives imine organochloride benzoyl pyrimidone carboxylic acid derivative organohalogen compound benzamide pyrimidine organic oxide aromatic heteropolycyclic compound tertiary aliphatic/aromatic amine organopnictogen compound 1-arylbiguanide dialkylarylamine imidolactam tertiary amine organoheterocyclic compound aryl chloride chlorobenzene vinylogous amide pterin azacycle heteroaromatic compound benzoic acid or derivatives carboximidamide secondary amine carboxamide group secondary aliphatic/aromatic amine aryl halide secondary carboxylic acid amide organic oxygen compound phenylalkylamine hydrocarbon derivative benzenoid primary amine halobenzene amine organooxygen compound

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