Compound Identification
SMILES
[H][C@]12C[C@@]3([H])[C@@]([H])([C@@]1([H])CC(=O)O2)C1(C)C2([H])C[C@@]3(O)O[C@@]1(C#COCC)C(C)=CC2=O
InChIKey
InChIKey=DTLGRNGLKWEKOW-QDNNSELKSA-N
Formula
C21H24O6
Mass
372.417
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
Ynones Oxanes Gamma butyrolactones Tetrahydrofurans Hemiacetals Cyclic alcohols and derivatives Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cyclohexenone - Gamma butyrolactone - Oxane - Ynone - Tetrahydrofuran - Cyclic alcohol - Carboxylic acid ester - Lactone - Hemiacetal - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Hydrocarbon derivative - Organic oxide - Aliphatic heteropolycyclic 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