Compound Identification
SMILES
O[C@@H]1C[C@@](C[C@@H](OC(=O)\C=C\C2=CC=C(O)C=C2)[C@@H]1O)(OCC#C)C(O)=O
InChIKey
InChIKey=DITPMIBVTCQZGK-YVQSIEQSSA-N
Formula
C19H20O8
Mass
376.361
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 Dicarboxylic acids and derivatives Enoate esters 1,2-diols Acetylides Carboxylic acids Dialkyl ethers 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 - 1-hydroxy-2-unsubstituted benzenoid - Cyclohexanol - Fatty acid ester - Phenol - Fatty acyl - Monocyclic benzene moiety - Benzenoid - Dicarboxylic acid or derivatives - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Secondary alcohol - Carboxylic acid ester - 1,2-diol - Ether - Dialkyl ether - Carboxylic acid derivative - Carboxylic acid - Acetylide - Hydrocarbon derivative - Organic oxide - Carbonyl group - 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
Not available