Compound Identification
SMILES
[H][C@@]1(O)C[C@](O)(C[C@@]([H])(OC(=O)C=CC2=CC=C(O)C=C2)[C@]1([H])O)C(O)=O
InChIKey
InChIKey=BMRSEYFENKXDIS-NCZKRNLISA-N
Formula
C16H18O8
Mass
338.312
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
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Level 6
Cyclitols and derivatives
- Level 7 Quinic acids and derivatives
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Level 6
Cyclitols and derivatives
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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
Coumaric acid esters Cinnamic acid esters Coumaric acids and derivatives Styrenes 1-hydroxy-2-unsubstituted benzenoids Fatty acid esters Cyclohexanols Alpha hydroxy acids and derivatives Dicarboxylic acids and derivatives Enoate esters Tertiary alcohols Polyols Carboxylic acids Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Coumaric acid ester - Quinic acid - Cinnamic acid or derivatives - Coumaric acid or derivatives - Hydroxycinnamic acid or derivatives - Cinnamic acid ester - Styrene - Phenol - Fatty acid ester - Cyclohexanol - 1-hydroxy-2-unsubstituted benzenoid - Fatty acyl - Benzenoid - Alpha-hydroxy acid - Monocyclic benzene moiety - Hydroxy acid - Dicarboxylic acid or derivatives - Enoate ester - Tertiary alcohol - Alpha,beta-unsaturated carboxylic ester - Secondary alcohol - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - Polyol - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic 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
CHEBI:75500 : cinnamate ester - cyclitol carboxylic acid