DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 17:28:09 UTC
Update Date	2025-03-25 01:52:03 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02544529
Frequency	0.5
Structure
Chemical Formula	C₃₉H₆₇NO₃₁
Molecular Mass	1045.3697
SMILES	CC(=O)NC1C(OC2C(O)C(CO)OC(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C2O)OC(CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OC(C)C(O)C(O)C1O
InChI Key	DDHZLYSQHVDVAE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	oxepanes
Subclass	oxepanes
Direct Parent	oxepanes
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetals acetamides carbonyl compounds carboxylic acids and derivatives hydrocarbon derivatives monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols secondary alcohols secondary carboxylic acid amides
Substituents	alcohol carbonyl group monosaccharide carboxamide group carboxylic acid derivative oxepane oxacycle secondary carboxylic acid amide saccharide organic oxide organic oxygen compound acetal aliphatic heteromonocyclic compound organonitrogen compound secondary alcohol organopnictogen compound hydrocarbon derivative organic nitrogen compound oxane primary alcohol acetamide organooxygen compound

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