Compound Identification
SMILES
C[C@@H]1OC(=O)[C@H](OS(=O)(=O)C(F)(F)F)[C@H](O)[C@H]1OCC1=CC=CC=C1
InChIKey
InChIKey=UZAOPGMDMYJHDU-ZDDJMSTPSA-N
Formula
C14H15F3O7S
Mass
384.32
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
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Class
Organooxygen compounds
-
Subclass
Carbohydrates and carbohydrate conjugates
-
Level 5
Monosaccharides
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Level 6
Hexoses
- Level 7 Gluconolactones
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Level 6
Hexoses
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Level 5
Monosaccharides
-
Subclass
Carbohydrates and carbohydrate conjugates
-
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
Monosaccharides - Hexoses
Direct Parent
Gluconolactones
Alternative Parents
Benzylethers Trifluoromethanesulfonates Delta valerolactones Organosulfonic acid esters Oxanes Sulfonic acid esters Methanesulfonates Sulfonyls Carboxylic acid esters Trihalomethanes Secondary alcohols Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Alkyl fluorides Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Gluconolactone - Benzylether - Trifluoromethanesulfonate - Delta valerolactone - Delta_valerolactone - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid ester - Sulfonic acid ester - Oxane - Methanesulfonate - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Trihalomethane - Carboxylic acid ester - Lactone - Secondary alcohol - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Dialkyl ether - Ether - Organosulfur compound - Hydrocarbon derivative - Halomethane - Alkyl fluoride - Alkyl halide - Carbonyl group - Alcohol - Organic oxide - Organohalogen compound - Organofluoride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as gluconolactones. These are polyhydroxy acids containing a gluconolactone molecule, which is characterized by a tetrahydropyran substituted by three hydroxyl groups, one ketone group, and one hydroxymethyl group.
External Descriptors
Not available