Compound Identification
SMILES
COC1=CC(C=CC(=O)OC2CC(CC(O)C2O)(OP(O)(O)=O)C(O)=O)=CC=C1O
InChIKey
InChIKey=FMAZQVIVMZPRBB-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
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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 Styrenes Phenoxy compounds Methoxybenzenes Anisoles 1-hydroxy-2-unsubstituted benzenoids Monoalkyl phosphates Alkyl aryl ethers Fatty acid esters Cyclohexanols Dicarboxylic acids and derivatives Enoate esters 1,2-diols Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides
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 - Methoxybenzene - Styrene - Phenol - Monoalkyl phosphate - Fatty acid ester - Alkyl aryl ether - Cyclohexanol - 1-hydroxy-2-unsubstituted benzenoid - Alkyl phosphate - Monocyclic benzene moiety - Benzenoid - Phosphoric acid ester - Organic phosphoric acid derivative - Fatty acyl - Dicarboxylic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Secondary alcohol - 1,2-diol - Carboxylic acid ester - Carboxylic acid derivative - Carboxylic acid - Ether - 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