Compound Identification
SMILES
OOC(=O)C1(O)C(O)=C(O)C(O)C(O)(O)C1(O)O
InChIKey
InChIKey=MKEMQFMZGKNWAC-UHFFFAOYSA-N
Formula
C7H10O11
Mass
270.146
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 Quinic acids and derivatives
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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
Quinic acids and derivatives
Alternative Parents
Tertiary alcohols Peroxycarboxylic acids Secondary alcohols Organic hydroperoxides Enediols Carboxylic acid salts Peroxols Monocarboxylic acids and derivatives Carbonyl hydrates 1,1-diols Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
Quinic acid - Tertiary alcohol - Peroxycarboxylic acid or derivatives - Peroxycarboxylic acid - Secondary alcohol - Hydroperoxide - Enediol - Carboxylic acid salt - 1,1-diol - Polyol - Peroxol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carbonyl hydrate - Organic oxide - Hydrocarbon derivative - Organic salt - Carbonyl group - Aliphatic 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