DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 06:40:58 UTC
Update Date	2025-03-24 17:55:38 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01012752
Frequency	1.4
Structure
Chemical Formula	C₃₀H₅₂N₂O₂₈P₂
Molecular Mass	950.2182
SMILES	CC(=O)NC1C(O)CC(COC2(C(=O)O)CC(OC3(C(=O)O)CC(OP(=O)(O)OCCN)C(O)C(C(O)CO)O3)C(O)C(C(O)CO)O2)C(OP(=O)(O)O)C1OC(=O)C(O)CO
InChI Key	XBHCIZDBRKUAQQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	c-glucuronides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetamides beta hydroxy acids and derivatives carbonyl compounds carboxylic acid esters carboxylic acids cyclitols and derivatives cyclohexanols dialkyl phosphates hydrocarbon derivatives ketals monoalkyl phosphates monoalkylamines monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes phosphoethanolamines primary alcohols pyran carboxylic acids secondary carboxylic acid amides sugar acids and derivatives tricarboxylic acids and derivatives
Substituents	carbonyl group carboxylic acid monosaccharide tricarboxylic acid or derivatives carboxylic acid derivative pyran carboxylic acid phosphoethanolamine beta-hydroxy acid organic oxide acetal ketal aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound oxane primary alcohol organoheterocyclic compound acetamide c-glucuronide alcohol pyran carboxylic acid or derivatives cyclohexanol cyclitol or derivatives hydroxy acid cyclic alcohol carboxamide group oxacycle secondary carboxylic acid amide dialkyl phosphate phosphoric acid ester pyran monoalkyl phosphate carboxylic acid ester secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate

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