DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:03:06 UTC
Update Date	2025-03-25 00:54:44 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02208345
Frequency	0.5
Structure
Chemical Formula	C₃₄H₅₆O₈
Molecular Mass	592.3975
SMILES	CC(C)CCCC(OC1OC(C(=O)O)C(O)C(O)C1O)C1CCC2C3=C(CCC21C)C1(C)CCC(O)C(C)(C)C1CC3
InChI Key	OTUCQTOXOJEODW-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	3-hydroxysteroids acetals alkyl glycosides androgens and derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acids cyclic alcohols and derivatives diterpene glycosides diterpenoids fatty acyl glycosides of mono- and disaccharides 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 glycoside of mono- or disaccharide carbonyl group carboxylic acid glucuronic acid or derivatives androgen-skeleton 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 3-hydroxysteroid hydroxysteroid terpene glycoside hydroxy acid cyclic alcohol oxacycle monocarboxylic acid or derivatives organic oxygen compound androstane-skeleton pyran secondary alcohol steroid-glucuronide-skeleton hydrocarbon derivative diterpenoid organooxygen compound alkyl glycoside

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