Compound Identification
SMILES
COC1=CC(C=CC(=O)OC2CC(O)(CC(O)C2O)C(=O)OP(O)(O)=O)=CC=C1O
InChIKey
InChIKey=HEHXVDFFLVSCTM-UHFFFAOYSA-N
Formula
C17H21O12P
Mass
448.317
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
-
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 acids and derivatives Cinnamic acid esters Methoxyphenols Styrenes Phenoxy compounds Methoxybenzenes Anisoles 1-hydroxy-2-unsubstituted benzenoids Acyl monophosphates Alkyl aryl ethers Fatty acid esters Cyclohexanols Dicarboxylic acids and derivatives Tertiary alcohols Enoate esters Carboxylic acid salts Polyols Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Quinic acid - Cinnamic acid or derivatives - Coumaric acid or derivatives - Hydroxycinnamic acid or derivatives - Cinnamic acid ester - Methoxyphenol - Anisole - Phenoxy compound - Phenol ether - Styrene - Methoxybenzene - Acyl monophosphate - Alkyl aryl ether - Cyclohexanol - Fatty acid ester - 1-hydroxy-2-unsubstituted benzenoid - Acyl phosphate - Phenol - Monocyclic benzene moiety - Fatty acyl - Dicarboxylic acid or derivatives - Benzenoid - Organic phosphoric acid derivative - Enoate ester - Tertiary alcohol - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Secondary alcohol - Carboxylic acid salt - Polyol - Carboxylic acid derivative - Ether - Organic oxide - Carbonyl group - Organic salt - 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