DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:57:41 UTC
Update Date	2025-03-25 00:52:46 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02195916
Frequency	0.5
Structure
Chemical Formula	C₃₁H₅₀O₁₃
Molecular Mass	630.3251
SMILES	CC12CCC(OC3OC(C(=O)O)C(O)C(O)C3O)CC1CC(O)C1C3C(O)CC4(C)C(CCC4(O)C(O)CO)C3CC(O)C12
InChI Key	IZUXFNFZOPIIDS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	lipids and lipid-like molecules
Class	steroids and steroid derivatives
Subclass	hydroxysteroids
Direct Parent	21-hydroxysteroids
Geometric Descriptor	aliphatic heteropolycyclic compounds
Alternative Parents	1-hydroxysteroids 11-hydroxysteroids 17-hydroxysteroids 6-hydroxysteroids acetals beta hydroxy acids 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 pregnane steroids primary alcohols pyran carboxylic acids secondary alcohols tertiary 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 21-hydroxysteroid oxane primary alcohol organoheterocyclic compound 17-hydroxysteroid alcohol pyran carboxylic acid or derivatives terpene glycoside hydroxy acid cyclic alcohol oxacycle tertiary alcohol monocarboxylic acid or derivatives organic oxygen compound pyran 1-hydroxysteroid secondary alcohol hydrocarbon derivative 11-hydroxysteroid 6-hydroxysteroid diterpenoid pregnane-skeleton organooxygen compound

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