DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:03:35 UTC
Update Date	2025-03-25 00:54:56 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02209519
Frequency	0.5
Structure
Chemical Formula	C₃₀H₄₇NO₁₁
Molecular Mass	597.3149
SMILES	CC12CCC3C(CC(O)C4CC(OC5OC(C(=O)O)C(O)C(O)C5O)CCC43C)C1CCC2CCC(=O)NCC(=O)O
InChI Key	FGTPEUAJXZQHBF-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	6-hydroxysteroids acetals acyl glycines alpha amino acids androstane steroids beta hydroxy acids and derivatives carbonyl compounds carboxylic acids cyclic alcohols and derivatives dicarboxylic acids and derivatives fatty amides glucuronic acid derivatives hydrocarbon derivatives monosaccharides 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 alpha-amino acid or derivatives carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide aliphatic heteropolycyclic compound beta-hydroxy acid saccharide organic oxide acetal organonitrogen compound alpha-amino acid organopnictogen compound oxane organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol pyran carboxylic acid or derivatives n-acyl-alpha-amino acid hydroxysteroid hydroxy acid cyclic alcohol carboxamide group n-acylglycine oxacycle secondary carboxylic acid amide organic oxygen compound androstane-skeleton pyran secondary alcohol dicarboxylic acid or derivatives steroid-glucuronide-skeleton hydrocarbon derivative 6-hydroxysteroid organic nitrogen compound organooxygen compound

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