DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:11:15 UTC
Update Date	2025-03-25 00:57:51 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02227145
Frequency	0.5
Structure
Chemical Formula	C₃₂H₅₁NO₁₀
Molecular Mass	609.3513
SMILES	CC(CCC(=O)C1CCC2C3CCC4CC(OC5OC(C(=O)O)C(O)C(O)C5O)CCC4(C)C3CCC12C)NCC(=O)O
InChI Key	WJOWJRGCQLJEQT-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	20-oxosteroids acetals alpha amino acids amino acids androstane steroids beta hydroxy acids and derivatives carboxylic acids dialkylamines dicarboxylic acids and derivatives diterpene glycosides diterpenoids glucuronic acid derivatives hydrocarbon derivatives ketones monosaccharides o-glucuronides organic oxides organopnictogen compounds oxacyclic compounds oxanes pyran carboxylic acids secondary alcohols
Substituents	carbonyl group carboxylic acid glucuronic acid or derivatives abietane diterpenoid amino acid or derivatives amino acid o-glucuronide monosaccharide alpha-amino acid or derivatives carboxylic acid derivative pyran carboxylic acid 20-oxosteroid diterpene glycoside ketone 1-o-glucuronide aliphatic heteropolycyclic compound beta-hydroxy acid saccharide organic oxide acetal organonitrogen compound alpha-amino acid organopnictogen compound oxane organoheterocyclic compound alcohol secondary aliphatic amine pyran carboxylic acid or derivatives oxosteroid terpene glycoside hydroxy acid secondary amine oxacycle organic oxygen compound androstane-skeleton pyran secondary alcohol dicarboxylic acid or derivatives steroid-glucuronide-skeleton hydrocarbon derivative organic nitrogen compound diterpenoid organooxygen compound amine

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