DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:14:06 UTC
Update Date	2025-03-25 00:58:54 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02233495
Frequency	0.5
Structure
Chemical Formula	C₃₂H₅₄O₁₀
Molecular Mass	598.3717
SMILES	CC(CCC(C)(C)O)C1CCC2C3C(O)CC4CC(OC5OC(C(=O)O)C(O)C(O)C5O)CCC4(C)C3C(O)CC12C
InChI Key	UEDVLBCEZVPYBC-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	11-hydroxysteroids 7-hydroxysteroids acetals beta hydroxy acids and derivatives bile acids, alcohols and derivatives carbonyl compounds carboxylic acids cyclic alcohols and derivatives diterpene glycosides diterpenoids glucuronic acid derivatives hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes pyran carboxylic acids secondary alcohols tertiary alcohols
Substituents	carbonyl group carboxylic acid glucuronic acid or derivatives abietane diterpenoid o-glucuronide monosaccharide 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 monocarboxylic acid or derivatives organic oxygen compound 24-hydroxysteroid pyran secondary alcohol steroid-glucuronide-skeleton hydrocarbon derivative 11-hydroxysteroid diterpenoid organooxygen compound

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