DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:44:04 UTC
Update Date	2025-03-25 00:47:55 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02164878
Frequency	0.5
Structure
Chemical Formula	C₃₃H₅₆O₁₀
Molecular Mass	612.3873
SMILES	CC(O)CCC(C)C(C)C1CCC2C3C(O)CC4CC(OC5OC(C(=O)O)C(O)C(O)C5O)CCC4(C)C3CC(O)C12C
InChI Key	QJNATFSJWRGPKZ-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 beta hydroxy acids and derivatives carbonyl compounds carboxylic acids cholestane steroids cyclic alcohols and derivatives diterpene glycosides diterpenoids fatty acyl glycosides of mono- and disaccharides fatty alcohols glucuronic acid derivatives hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes pyran carboxylic acids secondary alcohols
Substituents	fatty acyl fatty acyl glycoside of mono- or disaccharide carbonyl group 12-hydroxysteroid carboxylic acid glucuronic acid or derivatives abietane diterpenoid 25-hydroxysteroid o-glucuronide monosaccharide carboxylic acid derivative pyran carboxylic acid diterpene glycoside 1-o-glucuronide aliphatic heteropolycyclic compound beta-hydroxy acid saccharide organic oxide acetal fatty alcohol oxane organoheterocyclic compound alcohol pyran carboxylic acid or derivatives fatty acyl glycoside 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 cholestane-skeleton diterpenoid organooxygen compound alkyl glycoside

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