DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 13:29:07 UTC
Update Date	2025-03-24 22:05:38 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01988633
Frequency	0.6
Structure
Chemical Formula	C₂₉H₅₁N₃O₃₁S₄
Molecular Mass	1065.1389
SMILES	COC1C(NOS(=O)(=O)O)C(O)C(OC2OC(COS(=O)(=O)O)CC(O)C2NC(C)=O)C(O)C1OC1OC(COS(=O)(=O)O)C(O)C(OC2OC(COS(=O)(=O)O)CC(O)C2NC(C)=O)C1O
InChI Key	VVMYFWVBEKEXDN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	alcohols and polyols
Direct Parent	cyclohexanols
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetals acetamides alkyl sulfates carbonyl compounds carboxylic acids and derivatives cyclitols and derivatives dialkyl ethers hydrocarbon derivatives monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes secondary carboxylic acid amides sulfuric acid monoesters
Substituents	sulfuric acid monoester carbonyl group ether monosaccharide carboxylic acid derivative dialkyl ether saccharide organic oxide acetal alkyl sulfate aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound oxane organoheterocyclic compound acetamide organic sulfuric acid or derivatives cyclohexanol cyclitol or derivatives cyclic alcohol carboxamide group oxacycle secondary carboxylic acid amide sulfate-ester hydrocarbon derivative organic nitrogen compound sulfuric acid ester

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