Compound Identification
SMILES
[H]\C(=C(\[H])C1=CC(O)=C(O)C=C1)C(=O)O[C@@]1([H])C[C@@](O)(C[C@@]([H])(O)[C@]1([H])OC(=O)C(\[H])=C(/[H])C1=CC(OC)=C(O)C=C1)C(O)=O
InChIKey
InChIKey=RKAYMOSEFYVEJU-ADUGIACPSA-N
Formula
C26H26O12
Mass
530.482
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
-
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 Coumaric acids and derivatives Methoxyphenols Tricarboxylic acids and derivatives Anisoles Styrenes Phenoxy compounds Catechols Methoxybenzenes 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Fatty acid esters Cyclohexanols Alpha hydroxy acids and derivatives Tertiary alcohols Enoate esters Carboxylic acids Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Quinic acid - Cinnamic acid or derivatives - Coumaric acid or derivatives - Hydroxycinnamic acid or derivatives - Cinnamic acid ester - Methoxyphenol - Tricarboxylic acid or derivatives - Anisole - Catechol - Phenoxy compound - Phenol ether - Styrene - Methoxybenzene - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - Cyclohexanol - Fatty acid ester - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Hydroxy acid - Fatty acyl - Benzenoid - Alpha-hydroxy acid - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Tertiary alcohol - Secondary alcohol - Carboxylic acid ester - Ether - Carboxylic acid - Carboxylic acid derivative - 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
Not available