DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 16:36:47 UTC
Update Date	2025-03-25 01:30:06 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02424436
Frequency	0.5
Structure
Chemical Formula	C₅₀H₅₂N₆O₁₀
Molecular Mass	896.3745
SMILES	C=CC1=C(C)C(=Cc2[nH]c(C=C3N=C(C4=NC(=Cc5[nH]c(C=C6NC(=O)C(C)=C6C=C)c(C)c5CCC(=O)O)C(CCC(=O)O)=C4C)C(C)=C3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O
InChI Key	JIDBBEOJGSOCPA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	tetracarboxylic acids and derivatives
Direct Parent	tetracarboxylic acids and derivatives
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
Substituents	ketimine carbonyl group lactam carboxylic acid aromatic heteromonocyclic compound imine propargyl-type 1,3-dipolar organic compound dipyrrin organic oxide organonitrogen compound organopnictogen compound organoheterocyclic compound azacycle heteroaromatic compound tetracarboxylic acid or derivatives organic 1,3-dipolar compound carboxamide group secondary carboxylic acid amide organic oxygen compound pyrroline pyrrole hydrocarbon derivative organic nitrogen compound organooxygen compound

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