Compound Identification
SMILES
OCC1=C[C@@H](O)[C@H](O)[C@@H](O)C1=O
InChIKey
InChIKey=DEJZWTDEKQRWLD-PIYBLCFFSA-N
Formula
C7H10O5
Mass
174.152
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Cyclic ketones
- Level 7 Cyclohexenones
-
Level 6
Cyclic ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Cyclic ketones
Direct Parent
Cyclohexenones
Alternative Parents
Cyclitols and derivatives Secondary alcohols Polyols Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
Cyclohexenone - Cyclitol or derivatives - Secondary alcohol - Polyol - Organic oxide - Hydrocarbon derivative - Primary alcohol - Alcohol - Aliphatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as cyclohexenones. These are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond.
External Descriptors
Not available