Compound Identification
SMILES
OC1CC(CC(OC(=O)c2cc(O)c(O)c(O)c2)C1O)(OC(=O)c1cc(O)c(O)c(O)c1)C(O)=O
InChIKey
InChIKey=FQNDJQJKZKQULP-UHFFFAOYSA-N
Formula
C21H20O14
Mass
496.377
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 - Quinic acids and derivatives
Direct Parent
O-galloylquinic acids and derivatives
Alternative Parents
Galloyl esters p-Hydroxybenzoic acid alkyl esters m-Hydroxybenzoic acid esters Tricarboxylic acids and derivatives Pyrogallols and derivatives Benzoyl derivatives Cyclohexanols 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Carboxylic acid esters 1,2-diols Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
1-o-galloylquinic-acid - Galloyl ester - Gallic acid or derivatives - P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - Benzoate ester - Benzenetriol - Benzoic acid or derivatives - Tricarboxylic acid or derivatives - Pyrogallol derivative - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - Cyclohexanol - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - 1,2-diol - Secondary alcohol - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - Polyol - Organic oxide - Carbonyl group - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-galloylquinic acids and derivatives. These are compounds containing a galloic acid moiety, linked to one hydroxyl group of a quinic acid moiety.
External Descriptors
Not available