Compound Identification
SMILES
OC[C@]1(O)COC2=C(C=C(CC=O)C=C2)C=C1
InChIKey
InChIKey=PGVUJMFKLLNNSC-ZDUSSCGKSA-N
Formula
C13H14O4
Mass
234.251
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzoxepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzoxepines
Alternative Parents
Phenylacetaldehydes Alkyl aryl ethers Tertiary alcohols Alpha-hydrogen aldehydes 1,2-diols Oxacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxepine - Phenylacetaldehyde - Alkyl aryl ether - Benzenoid - Alpha-hydrogen aldehyde - Tertiary alcohol - 1,2-diol - Ether - Oxacycle - Primary alcohol - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Aldehyde - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoxepines. These are organic compounds containing a benzene ring fused to an oxepine ring (an unsaturated seven-membered heterocycle with one oxygen atom replacing a carbon atom).
External Descriptors
Not available