Compound Identification
SMILES
O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\C2=CSC=C2)[C@@H]1O)C(O)=O
InChIKey
InChIKey=GAEXCAAGXVFGFO-BLGYJXKWSA-N
Formula
C14H16O7S
Mass
328.34
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Alcohols and polyols
-
Level 5
Cyclic alcohols and derivatives
-
Level 6
Cyclitols and derivatives
- Level 7 Quinic acids and derivatives
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Level 6
Cyclitols and derivatives
-
Level 5
Cyclic alcohols and derivatives
-
Subclass
Alcohols and polyols
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Alcohols and polyols
Intermediate Tree Nodes
Cyclic alcohols and derivatives - Cyclitols and derivatives
Direct Parent
Quinic acids and derivatives
Alternative Parents
Fatty acid esters Cyclohexanols Dicarboxylic acids and derivatives Alpha hydroxy acids and derivatives Thiophenes Tertiary alcohols Heteroaromatic compounds Enoate esters Polyols Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Quinic acid - Cyclohexanol - Fatty acid ester - Alpha-hydroxy acid - Dicarboxylic acid or derivatives - Fatty acyl - Hydroxy acid - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Thiophene - Secondary alcohol - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid - Polyol - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as quinic acids and derivatives. These are compounds containing a quinic acid moiety (or a derivative thereof), which is a cyclitol made up of a cyclohexane ring that bears four hydroxyl groups at positions 1,3.4, and 5, as well as a carboxylic acid at position 1.
External Descriptors
Not available