Compound Identification
SMILES
OC(CC(O)=O)C(O)=O.CN1CCC(CC1)=C1C2=C(CCC3=CC=CC=C13)SC=C2
InChIKey
InChIKey=IWAWCPZVTXCFKD-UHFFFAOYSA-N
Formula
C23H27NO5S
Mass
429.53
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Cycloheptathiophenes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Cycloheptathiophenes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Cycloheptathiophenes
Alternative Parents
Short-chain hydroxy acids and derivatives Beta hydroxy acids and derivatives Alpha hydroxy acids and derivatives Benzenoids Piperidines Dicarboxylic acids and derivatives Fatty acids and conjugates Thiophenes Heteroaromatic compounds Secondary alcohols Trialkylamines Carboxylic acids Azacyclic compounds Organic oxides Organopnictogen compounds Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Cycloheptathiophene - Beta-hydroxy acid - Short-chain hydroxy acid - Alpha-hydroxy acid - Dicarboxylic acid or derivatives - Hydroxy acid - Piperidine - Fatty acid - Benzenoid - Heteroaromatic compound - Thiophene - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Alcohol - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cycloheptathiophenes. These are polycyclic compounds containing a thiophene ring fused to a 7 member carbocyclic moiety. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom.
External Descriptors
CHEBI:50213 : malate salt