Compound Identification
SMILES
COCCOC(=O)O[C@@H]1CSC(OC2=CC3=C(C=C2)C(C)=CC(=O)O3)[C@H](OC(=O)OCCOC)[C@H]1OC(=O)OCCOC
InChIKey
InChIKey=CWNXAJKFWFSKKS-IZDUKZDJSA-N
Formula
C27H34O15S
Mass
630.61
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Coumarins and derivatives
Alternative Parents
1-benzopyrans Phenol ethers Pyranones and derivatives Thianes Carbonic acid diesters Monothioacetals Heteroaromatic compounds Lactones Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Phenol ether - Pyranone - Carbonic acid diester - Pyran - Thiane - Benzenoid - Heteroaromatic compound - Monothioacetal - Carbonic acid derivative - Lactone - Ether - Dialkyl ether - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
External Descriptors
Not available