Compound Identification
SMILES
COC1=C(O)C=C(CCC(=O)OC2C[C@@](O)(C[C@@H](O)[C@H]2O)C(O)=O)C=C1
InChIKey
InChIKey=DGKHCFYFWCSFAJ-ULIZNUAHSA-N
Formula
C17H22O9
Mass
370.354
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
Methoxyphenols Anisoles Methoxybenzenes Phenoxy compounds 1-hydroxy-4-unsubstituted benzenoids Fatty acid esters Cyclohexanols 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Dicarboxylic acids and derivatives Alpha hydroxy acids and derivatives Tertiary alcohols Carboxylic acid esters Carboxylic acids Polyols Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Quinic acid - Methoxyphenol - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Cyclohexanol - Fatty acid ester - Phenol - Alpha-hydroxy acid - Monocyclic benzene moiety - Fatty acyl - Dicarboxylic acid or derivatives - Benzenoid - Hydroxy acid - Tertiary alcohol - Carboxylic acid ester - Secondary alcohol - Carboxylic acid - Carboxylic acid derivative - Ether - Polyol - 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