Compound Identification
SMILES
CC1(C)CCC[C@@]2(C)[C@@H](OC(=O)[C@H]3O[C@@]123)C1=COC=C1
InChIKey
InChIKey=OLVOOMOMIMDXRU-VZAMPYOESA-N
Formula
C16H20O4
Mass
276.332
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Dioxepanes
- Subclass 1,4-dioxepanes
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Class
Dioxepanes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Dioxepanes
Subclass
1,4-dioxepanes
Intermediate Tree Nodes
Not available
Direct Parent
1,4-dioxepanes
Alternative Parents
Fatty acid esters Delta valerolactones Oxirane carboxylic acids Oxanes Monosaccharides Heteroaromatic compounds Furans Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Delta_valerolactone - Fatty acid ester - Delta valerolactone - 1,4-dioxepane - Fatty acyl - Oxirane carboxylic acid or derivatives - Oxirane carboxylic acid - Oxane - Monosaccharide - Heteroaromatic compound - Furan - Lactone - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1,4-dioxepanes. These are dioxepanes with the two ring oxygen atoms at position 1 and 4, respectively.
External Descriptors
Not available