Compound Identification
SMILES
COC(=O)C1=C[C@@H](O)[C@H](O)[C@H](O)[C@H]1Cl
InChIKey
InChIKey=AEDMWQPFIPNFCS-JRTVQGFMSA-N
Formula
C8H11ClO5
Mass
222.62
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
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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
Methyl esters Enoate esters Secondary alcohols Chlorohydrins Polyols Monocarboxylic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
Shikimic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Carboxylic acid ester - Chlorohydrin - Secondary alcohol - Halohydrin - Carboxylic acid derivative - Polyol - Monocarboxylic acid or derivatives - Alkyl chloride - Hydrocarbon derivative - Organic oxide - Carbonyl group - Alkyl halide - Organohalogen compound - Organochloride - Aliphatic homomonocyclic 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
CHEBI:67322 : methyl ester - cyclitol