DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:11:49 UTC
Update Date	2025-03-25 00:58:04 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02228391
Frequency	0.5
Structure
Chemical Formula	C₂₈H₃₇NO₁₈
Molecular Mass	675.2011
SMILES	CC(=O)NC1C(O)CC(Oc2cc(CC3CCC(=O)O3)cc(OC3OC(C(=O)O)C(O)C(O)C3O)c2)(C(=O)O)OC1C(O)C(O)CO
InChI Key	BPXZJKWWYHRVBL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	o-glucuronides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	acetamides beta hydroxy acids and derivatives c-glucuronides carbonyl compounds carboxylic acid esters carboxylic acids gamma butyrolactones glucuronic acid derivatives hydrocarbon derivatives ketals monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes phenol ethers phenoxy compounds phenoxyacetic acid derivatives primary alcohols pyran carboxylic acids secondary alcohols secondary carboxylic acid amides tetrahydrofurans tricarboxylic acids and derivatives
Substituents	phenol ether monocyclic benzene moiety phenoxyacetate carbonyl group carboxylic acid aromatic heteromonocyclic compound o-glucuronide monosaccharide tricarboxylic acid or derivatives carboxylic acid derivative pyran carboxylic acid lactone 1-o-glucuronide beta-hydroxy acid organic oxide acetal ketal organonitrogen compound organopnictogen compound oxane primary alcohol organoheterocyclic compound acetamide c-glucuronide alcohol pyran carboxylic acid or derivatives tetrahydrofuran hydroxy acid carboxamide group gamma butyrolactone oxacycle secondary carboxylic acid amide pyran carboxylic acid ester secondary alcohol hydrocarbon derivative benzenoid organic nitrogen compound phenoxy compound

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