DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:45:34 UTC
Update Date	2025-03-25 00:48:27 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02168307
Frequency	0.5
Structure
Chemical Formula	C₃₃H₅₅NO₁₀
Molecular Mass	625.3826
SMILES	CC(CCC(=O)NCC(=O)O)C1CCC2C3CCC4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3(C)CC(O)C12C
InChI Key	XHKWFSMKUAOHMP-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 acetals acyl glycines alpha amino acids bile acids, alcohols and derivatives carbonyl compounds carboxylic acids cyclic alcohols and derivatives diterpene glycosides diterpenoids 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
Substituents	fatty acyl carbonyl group 12-hydroxysteroid carboxylic acid abietane diterpenoid steroidal glycoside fatty amide monosaccharide alpha-amino acid or derivatives carboxylic acid derivative bile acid, alcohol, or derivatives diterpene glycoside aliphatic heteropolycyclic compound saccharide organic oxide acetal organonitrogen compound alpha-amino acid organopnictogen compound oxane primary alcohol organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol n-acyl-alpha-amino acid hydroxysteroid terpene glycoside cyclic alcohol carboxamide group n-acyl-amine n-acylglycine oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative organic nitrogen compound diterpenoid organooxygen compound

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