DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:11:15 UTC
Update Date	2025-03-25 00:57:51 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02227173
Frequency	0.5
Structure
Chemical Formula	C₃₃H₅₃NO₁₁
Molecular Mass	639.3619
SMILES	CC(CCC(=O)NCCC(=O)O)C1CCC2C3C(O)CC4CC(OC5OC(C(=O)O)C(O)C(O)C5O)CCC4(C)C3CCC12C
InChI Key	JLSFNACIPLZUHO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	lipids and lipid-like molecules
Class	steroids and steroid derivatives
Subclass	steroidal glycosides
Direct Parent	steroid glucuronide conjugates
Geometric Descriptor	aliphatic heteropolycyclic compounds
Alternative Parents	7-hydroxysteroids acetals beta amino acids and derivatives beta hydroxy acids and derivatives bile acids, alcohols and derivatives carbonyl compounds carboxylic acids cyclic alcohols and derivatives dicarboxylic acids and derivatives glucuronic acid derivatives hydrocarbon derivatives monosaccharides n-acyl amines o-glucuronides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes pyran carboxylic acids secondary alcohols secondary carboxylic acid amides
Substituents	fatty acyl carbonyl group carboxylic acid glucuronic acid or derivatives fatty amide o-glucuronide monosaccharide carboxylic acid derivative bile acid, alcohol, or derivatives pyran carboxylic acid 1-o-glucuronide aliphatic heteropolycyclic compound beta-hydroxy acid saccharide organic oxide acetal organonitrogen compound organopnictogen compound oxane organoheterocyclic compound alcohol pyran carboxylic acid or derivatives hydroxysteroid hydroxy acid cyclic alcohol carboxamide group 7-hydroxysteroid n-acyl-amine beta amino acid or derivatives oxacycle secondary carboxylic acid amide organic oxygen compound pyran secondary alcohol dicarboxylic acid or derivatives steroid-glucuronide-skeleton hydrocarbon derivative organic nitrogen compound organooxygen compound

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