DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:58:49 UTC
Update Date	2025-03-25 00:53:12 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02198499
Frequency	0.5
Structure
Chemical Formula	C₃₂H₅₃NO₁₁
Molecular Mass	627.3619
SMILES	CC(CCC(=O)NCC(=O)O)C1(O)CCC2C3CCC4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CC(O)C21C
InChI Key	QGINZDSLGMQQOG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	lipids and lipid-like molecules
Class	steroids and steroid derivatives
Subclass	steroidal glycosides
Direct Parent	steroidal glycosides
Geometric Descriptor	aliphatic heteropolycyclic compounds
Alternative Parents	12-hydroxysteroids 17-hydroxysteroids acetals acyl glycines alpha amino acids bile acids, alcohols and derivatives carbonyl compounds carboxylic acids cyclic alcohols and derivatives hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols secondary alcohols secondary carboxylic acid amides tertiary alcohols
Substituents	fatty acyl carbonyl group 12-hydroxysteroid carboxylic acid steroidal glycoside fatty amide monosaccharide alpha-amino acid or derivatives carboxylic acid derivative bile acid, alcohol, or derivatives aliphatic heteropolycyclic compound saccharide organic oxide acetal organonitrogen compound alpha-amino acid organopnictogen compound oxane primary alcohol organoheterocyclic compound 17-hydroxysteroid n-acyl-alpha amino acid or derivatives alcohol n-acyl-alpha-amino acid hydroxysteroid cyclic alcohol carboxamide group n-acyl-amine n-acylglycine oxacycle secondary carboxylic acid amide tertiary alcohol monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative organic nitrogen compound organooxygen compound

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