Compound Identification
SMILES
CC(C)(OC(=O)C1=CC(O)C(O)C(O)C1)C1CC23OCOC2(CC(=O)C(CC=C)=C3)O1
InChIKey
InChIKey=POKJSEWCYKOUNM-UHFFFAOYSA-N
Formula
C22H28O9
Mass
436.457
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
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Class
Organooxygen compounds
-
Subclass
Alcohols and polyols
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Level 5
Cyclic alcohols and derivatives
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Level 6
Cyclitols and derivatives
- Level 7 Shikimic acids and derivatves
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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
Shikimic acids and derivatves
Alternative Parents
Ketals Cyclohexenones Tetrahydrofurans Enoate esters 1,3-dioxolanes Secondary alcohols Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Shikimic acid or derivatives - Ketal - Cyclohexenone - Meta-dioxolane - Tetrahydrofuran - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Ketone - Secondary alcohol - Cyclic ketone - Polyol - Monocarboxylic acid or derivatives - Acetal - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aliphatic 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