DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:13:19 UTC
Update Date	2025-03-25 00:58:36 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02231737
Frequency	0.5
Structure
Chemical Formula	C₃₀H₄₈O₉
Molecular Mass	552.3298
SMILES	CC12CCC(O)C(C)(C)C1CCC1=C2CCC2C1(C)CCC(OC1OC(C(=O)O)C(O)C(O)C1O)C2(C)CO
InChI Key	XEEMOICUCYJXLB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	lipids and lipid-like molecules
Class	steroids and steroid derivatives
Subclass	steroids and steroid derivatives
Direct Parent	steroids and steroid derivatives
Geometric Descriptor	aliphatic heteropolycyclic compounds
Alternative Parents	acetals beta hydroxy acids and derivatives carbonyl compounds carboxylic acids cyclic alcohols and derivatives 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 o-glucuronide monosaccharide carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide aliphatic heteropolycyclic compound beta-hydroxy acid saccharide organic oxide acetal oxane organoheterocyclic compound steroid alcohol pyran carboxylic acid or derivatives hydroxy acid cyclic alcohol oxacycle monocarboxylic acid or derivatives organic oxygen compound pyran secondary alcohol hydrocarbon derivative organooxygen compound

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