DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:54:16 UTC
Update Date	2025-03-25 00:51:38 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02188249
Frequency	0.5
Structure
Chemical Formula	C₃₆H₅₆O₁₈
Molecular Mass	776.3467
SMILES	CC(O)(CCC(=O)OC1OC(C(=O)O)C(O)C(O)C1O)C1CCC2C3C(O)CC4CC(OC5OC(C(=O)O)C(O)C(O)C5O)CCC4(C)C3CC(O)C21C
InChI Key	XLYXJZOWGDBFDB-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	12-hydroxysteroids 7-hydroxysteroids acetals beta hydroxy acids and derivatives bile acids, alcohols and derivatives carbonyl compounds carboxylic acid esters carboxylic acids cyclic alcohols and derivatives diterpene glycosides diterpenoids glucuronic acid derivatives hydrocarbon derivatives monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes pyran carboxylic acids secondary alcohols tertiary alcohols tricarboxylic acids and derivatives
Substituents	20-hydroxysteroid carbonyl group 12-hydroxysteroid carboxylic acid glucuronic acid or derivatives abietane diterpenoid o-glucuronide monosaccharide tricarboxylic acid or derivatives carboxylic acid derivative bile acid, alcohol, or derivatives pyran carboxylic acid diterpene glycoside 1-o-glucuronide aliphatic heteropolycyclic compound beta-hydroxy acid saccharide organic oxide acetal oxane organoheterocyclic compound alcohol pyran carboxylic acid or derivatives hydroxysteroid terpene glycoside hydroxy acid cyclic alcohol 7-hydroxysteroid oxacycle tertiary alcohol organic oxygen compound pyran carboxylic acid ester secondary alcohol steroid-glucuronide-skeleton hydrocarbon derivative diterpenoid organooxygen compound

Showing information for DMID02188249