Compound Identification
SMILES
O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\C2=CN=CC=C2)[C@@H]1O)C(O)=O
InChIKey
InChIKey=DKRXKOUMILDJTA-XECAEXQESA-N
Formula
C15H17NO7
Mass
323.301
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
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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
Cyclohexanols Fatty acid esters Alpha hydroxy acids and derivatives Pyridines and derivatives Dicarboxylic acids and derivatives Tertiary alcohols Enoate esters Heteroaromatic compounds Azacyclic compounds Polyols Carboxylic acids Organonitrogen compounds Organopnictogen compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Quinic acid - Cyclohexanol - Fatty acid ester - Alpha-hydroxy acid - Fatty acyl - Dicarboxylic acid or derivatives - Hydroxy acid - Pyridine - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Polyol - Carbonyl group - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - 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