Compound Identification
SMILES
CCCCCC(OS(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O)C(O)C(=O)OCC
InChIKey
InChIKey=QORSQJVGTUJSCJ-UHFFFAOYSA-N
Formula
C16H23NO8S
Mass
389.42
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic oxygen compounds
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Class
Organooxygen compounds
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Subclass
Carbohydrates and carbohydrate conjugates
- Level 5 Sugar acids and derivatives
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Subclass
Carbohydrates and carbohydrate conjugates
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Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbohydrates and carbohydrate conjugates
Intermediate Tree Nodes
Not available
Direct Parent
Sugar acids and derivatives
Alternative Parents
Octoses p-Nitrobenzenesulfonates p-Bromobenzenesulfonates Benzenesulfonate esters Arylsulfonic acids and derivatives Benzenesulfonyl compounds Nitrobenzenes Nitroaromatic compounds Fatty acid esters Organosulfonic acid esters Sulfonyls Carboxylic acid esters Secondary alcohols Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Organic salts Organic zwitterions Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Octose monosaccharide - P-nitrobenzenesulfonate - Benzenesulfonate ester - P-bromobenzenesulfonate - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Nitrobenzene - Nitroaromatic compound - Fatty acid ester - Sugar acid - Monocyclic benzene moiety - Monosaccharide - Fatty acyl - Organosulfonic acid ester - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Secondary alcohol - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Alcohol - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organic salt - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organosulfur compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as sugar acids and derivatives. These are compounds containing a saccharide unit which bears a carboxylic acid group.
External Descriptors
Not available