DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:45:23 UTC
Update Date	2025-03-25 00:48:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02167894
Frequency	0.5
Structure
Chemical Formula	C₃₅H₅₈O₈
Molecular Mass	606.4132
SMILES	CC(C)CCCC(C)C1CCC2C3=CCC4C(C)(C)C(OC5OC(C(=O)O)C(O)C(O)C5O)CCC4(C)C3C(O)CC21C
InChI Key	QREGIGFCMIACTJ-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 acetals beta hydroxy acids and derivatives carbonyl compounds carboxylic acids cholesterols and derivatives cyclic alcohols and derivatives delta-7-steroids 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
Substituents	carbonyl group carboxylic acid glucuronic acid or derivatives abietane diterpenoid o-glucuronide monosaccharide 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 delta-7-steroid terpene glycoside hydroxy acid cyclic alcohol cholesterol oxacycle monocarboxylic acid or derivatives organic oxygen compound pyran secondary alcohol steroid-glucuronide-skeleton hydrocarbon derivative 11-hydroxysteroid cholestane-skeleton diterpenoid organooxygen compound

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