DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:19:49 UTC
Update Date	2025-03-21 18:36:18 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00109899
Frequency	24.3
Structure
Chemical Formula	C₃₁H₅₀O₁₀
Molecular Mass	582.3404
SMILES	CC(=O)CCC(C)C1CCC2C3C(O)CC4CC(OC5OC(C(=O)O)C(O)C(O)C5O)CCC4(C)C3CC(O)C12C
InChI Key	IEHCWQLBWTYUSC-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 carboxylic acids cyclic alcohols and derivatives diterpene glycosides diterpenoids glucuronic acid derivatives hydrocarbon derivatives ketones monocarboxylic acids and derivatives monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes oxosteroids pyran carboxylic acids secondary alcohols
Substituents	carbonyl group 12-hydroxysteroid carboxylic acid glucuronic acid or derivatives abietane diterpenoid o-glucuronide monosaccharide carboxylic acid derivative bile acid, alcohol, or derivatives pyran carboxylic acid diterpene glycoside ketone 1-o-glucuronide aliphatic heteropolycyclic compound beta-hydroxy acid saccharide organic oxide 24-oxosteroid acetal oxane organoheterocyclic compound alcohol pyran carboxylic acid or derivatives oxosteroid hydroxysteroid terpene glycoside hydroxy acid cyclic alcohol 7-hydroxysteroid oxacycle monocarboxylic acid or derivatives organic oxygen compound pyran secondary alcohol steroid-glucuronide-skeleton hydrocarbon derivative diterpenoid organooxygen compound

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