DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 17:17:58 UTC
Update Date	2025-03-25 01:47:40 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02520784
Frequency	0.5
Structure
Chemical Formula	C₄₁H₆₄O₂₂
Molecular Mass	908.3889
SMILES	CC1OC(OC(CCC(=O)OC2OC(C(=O)O)C(O)C(O)C2O)C2CCC3C4C(O)CC5CC(OC6OC(C(=O)O)C(O)C(O)C6O)CCC5(C)C4CC(O)C23C)C(O)C(O)C1O
InChI Key	WLWOYNJBZYDKMY-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 alkyl glycosides androstane steroids beta hydroxy acids and derivatives carbonyl compounds carboxylic acid esters carboxylic acids cyclic alcohols and derivatives diterpene glycosides diterpenoids fatty acyl glycosides of mono- and disaccharides glucuronic acid derivatives hydrocarbon derivatives monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes pyran carboxylic acids secondary alcohols tricarboxylic acids and derivatives
Substituents	fatty acyl glycoside of mono- or disaccharide carbonyl group 12-hydroxysteroid carboxylic acid glucuronic acid or derivatives abietane diterpenoid o-glucuronide monosaccharide tricarboxylic acid or derivatives carboxylic acid derivative 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 organic oxygen compound androstane-skeleton pyran carboxylic acid ester secondary alcohol steroid-glucuronide-skeleton hydrocarbon derivative diterpenoid organooxygen compound alkyl glycoside

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