Compound Identification
SMILES
OCC1OC(C(O)C(O)C1O)C1=C(O)C=C(O)C2(O)C(=O)C3=CC(O)=C(O)C=C3OC12O
InChIKey
InChIKey=AOHNIRDVQHBUJE-UHFFFAOYSA-N
Formula
C19H20O13
Mass
456.356
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzopyrans
-
Subclass
1-benzopyrans
- Level 5 Dibenzopyrans
-
Subclass
1-benzopyrans
-
Class
Benzopyrans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzopyrans
Subclass
1-benzopyrans
Intermediate Tree Nodes
Dibenzopyrans - Xanthenes
Direct Parent
Xanthones
Alternative Parents
Hexoses C-glycosyl compounds Chromones Aryl alkyl ketones 1-hydroxy-2-unsubstituted benzenoids Oxanes Tertiary alcohols Secondary alcohols Hemiacetals Polyols Oxacyclic compounds Dialkyl ethers Enols Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthone - Hexose monosaccharide - C-glycosyl compound - Chromone - Glycosyl compound - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - Monosaccharide - Oxane - Benzenoid - Tertiary alcohol - Ketone - Hemiacetal - Secondary alcohol - Polyol - Oxacycle - Ether - Enol - Dialkyl ether - Primary alcohol - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as xanthones. These are polycyclic aromatic compounds containing a xanthene moiety conjugated to a ketone group at carbon 9. Xanthene is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring.
External Descriptors
Not available