Compound Identification
SMILES
CC(C)COC(=O)O[C@@H]1CSC(OC2=CC3=C(C=C2)C(C)=CC(=O)O3)[C@H](OC(=O)OCC(C)C)[C@H]1OC(=O)OCC(C)C
InChIKey
InChIKey=SPPYQFZFXQNJMM-PTLRFMENSA-N
Formula
C30H40O12S
Mass
624.7
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 Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Phenol ether - Pyranone - Carbonic acid diester - Benzenoid - Thiane - Pyran - Heteroaromatic compound - Monothioacetal - Lactone - Carbonic acid derivative - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organooxygen compound - 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