DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:57:55 UTC
Update Date	2025-03-25 00:52:50 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02196410
Frequency	0.5
Structure
Chemical Formula	C₃₈H₅₂N₄O₁₂
Molecular Mass	756.3582
SMILES	CCC1=C(C)C(=O)NC1Cc1[nH]c(Cc2[nH]c(CC3NC(=O)C(CC)C3C)c(C)c2CCC(=O)O)c(CC(=O)OC2OC(C(=O)O)C(O)C(O)C2O)c1C
InChI Key	PNGLLOQNQYJINV-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	acetals azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acid esters carboxylic acids glucuronic acid derivatives heteroaromatic compounds hydrocarbon derivatives lactams monosaccharides o-glucuronides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes pyran carboxylic acids pyrroles pyrrolidine-2-ones pyrrolines secondary alcohols secondary carboxylic acid amides tricarboxylic acids and derivatives
Substituents	2-pyrrolidone carbonyl group lactam carboxylic acid glucuronic acid or derivatives aromatic heteromonocyclic compound o-glucuronide monosaccharide tricarboxylic acid or derivatives carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal organonitrogen compound organopnictogen compound oxane metallotetrapyrrole skeleton pyrrolidine pyrrolidone alcohol pyran carboxylic acid or derivatives azacycle heteroaromatic compound hydroxy acid carboxamide group oxacycle secondary carboxylic acid amide organic oxygen compound pyrroline pyran carboxylic acid ester pyrrole secondary alcohol hydrocarbon derivative organic nitrogen compound organooxygen compound

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