Compound Identification
SMILES
OC1CC(=CC(O)C1O)C([O-])=O
InChIKey
InChIKey=JXOHGGNKMLTUBP-UHFFFAOYSA-M
Formula
C7H9O5
Mass
173.145
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
Secondary alcohols Polyols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic anions
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
Shikimic acid or derivatives - Secondary alcohol - Polyol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic anion - 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
META CYC (SHIKIMATE) : a small molecule