DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:00:38 UTC
Update Date	2025-03-25 00:32:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02063533
Frequency	0.6
Structure
Chemical Formula	C₅₆H₅₇N₇O₉
Molecular Mass	971.4218
SMILES	C=CC1=C(C)C(=CC2=NC(=Cc3[nH]c(Cc4[nH]c(C=C5NC(=O)C(C)=C5C=C)c(C)c4C=C4N=C(C=C5NC(=O)C(C=C)=C5C)C(C)=C4CCC(=O)O)c(C)c3CCC(=O)O)C(CCC(=O)O)=C2C)NC1=O
InChI Key	ZPTDTTYQTPJPAG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	tetrapyrroles and derivatives
Subclass	metallotetrapyrroles
Direct Parent	metallotetrapyrroles
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	azacyclic compounds carbonyl compounds carboxylic acids dipyrrins heteroaromatic compounds hydrocarbon derivatives ketimines lactams organic oxides organopnictogen compounds propargyl-type 1,3-dipolar organic compounds pyrroles pyrrolines secondary carboxylic acid amides tricarboxylic acids and derivatives
Substituents	ketimine carbonyl group lactam carboxylic acid aromatic heteromonocyclic compound imine tricarboxylic acid or derivatives carboxylic acid derivative propargyl-type 1,3-dipolar organic compound dipyrrin organic oxide organonitrogen compound organopnictogen compound metallotetrapyrrole skeleton azacycle heteroaromatic compound organic 1,3-dipolar compound carboxamide group secondary carboxylic acid amide organic oxygen compound pyrroline pyrrole hydrocarbon derivative organic nitrogen compound organooxygen compound

Showing information for DMID02063533