Compound Identification
SMILES
COC(=O)[C@]1(O)C[C@@H](O)[C@@H](OC(=O)C2=CC(OC)=C(O)C(OC)=C2)[C@@H](C1)OC(=O)\C=C\C1=CC(O)=C(O)C=C1
InChIKey
InChIKey=NJQRNAMEYKKLLB-KUIMDDQMSA-N
Formula
C26H28O13
Mass
548.497
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic oxygen compounds
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Class
Organooxygen compounds
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Subclass
Alcohols and polyols
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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
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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
Cinnamic acid esters Gallic acid and derivatives Coumaric acids and derivatives p-Hydroxybenzoic acid alkyl esters M-methoxybenzoic acids and derivatives Methoxyphenols Dimethoxybenzenes Tricarboxylic acids and derivatives Anisoles Styrenes Phenoxy compounds Benzoyl derivatives Catechols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Fatty acid esters Cyclohexanols Methyl esters Tertiary alcohols Enoate esters Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Quinic acid - Hydroxycinnamic acid or derivatives - Cinnamic acid ester - Gallic acid or derivatives - Cinnamic acid or derivatives - Coumaric acid or derivatives - P-hydroxybenzoic acid alkyl ester - P-hydroxybenzoic acid ester - M-methoxybenzoic acid or derivatives - Methoxyphenol - Benzoate ester - M-dimethoxybenzene - Dimethoxybenzene - Benzoic acid or derivatives - Tricarboxylic acid or derivatives - Benzoyl - Phenoxy compound - Phenol ether - Styrene - Anisole - Methoxybenzene - Catechol - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Cyclohexanol - Fatty acid ester - Phenol - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Tertiary alcohol - Carboxylic acid ester - Secondary alcohol - Ether - Carboxylic acid derivative - Carbonyl group - Hydrocarbon derivative - Organic oxide - 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