Compound Identification
SMILES
COC(=O)C1=CC(O)C(O)C(O)C1Oc1c2C(=O)C3(Oc2c(Cl)c(C)c1Cl)C(OC)=CC(=O)C=C3C(=O)OC
InChIKey
InChIKey=LNGFWDFUPRZMJI-UHFFFAOYSA-N
Formula
C25H22Cl2O12
Mass
585.34
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Alcohols and polyols
-
Level 5
Cyclic alcohols and derivatives
-
Level 6
Cyclitols and derivatives
- Level 7 Shikimic acids and derivatves
-
Level 6
Cyclitols and derivatives
-
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
Shikimic acids and derivatves
Alternative Parents
Benzofurans Coumarans Aryl alkyl ketones Alkyl aryl ethers Aryl chlorides Benzenoids Dicarboxylic acids and derivatives Vinylogous esters Methyl esters Enoate esters Cyclic ketones Secondary alcohols Oxacyclic compounds Polyols Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Shikimic acid or derivatives - Coumaran - Benzofuran - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Aryl chloride - Aryl halide - Benzenoid - Dicarboxylic acid or derivatives - Vinylogous ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Carboxylic acid ester - Cyclic ketone - Ketone - Secondary alcohol - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Polyol - Oxacycle - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as shikimic acids and derivatves. These are cyclitols containing a cyclohexanecarboxylic acid substituted with three hydroxyl groups at positions 3, 4, and 5.
External Descriptors
Not available