Compound Identification
SMILES
COC1C2OC(C)(C)OC2OC1C1=CC2=C(OC1=O)C=CC(OC)=C2
InChIKey
InChIKey=NYSXJWWJCQRGMA-UHFFFAOYSA-N
Formula
C18H20O7
Mass
348.351
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 Anisoles Pyranones and derivatives Ketals Alkyl aryl ethers Monosaccharides Oxolanes Heteroaromatic compounds 1,3-dioxolanes Lactones Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Anisole - Alkyl aryl ether - Ketal - Pyranone - Monosaccharide - Benzenoid - Pyran - Meta-dioxolane - Heteroaromatic compound - Oxolane - Lactone - Oxacycle - Ether - Dialkyl ether - Acetal - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen 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