Compound Identification
SMILES
OC[C@H]1O[C@@H](OC2=CC=CC3=C2OC2=C(C(O)=CC(O)=C2S(O)(=O)=O)C3=O)[C@H](O)[C@@H](O)[C@@H]1O
InChIKey
InChIKey=PTYSSAGSVAYSDY-XFRIUUDKSA-N
Formula
C19H18O13S
Mass
486.4
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzopyrans
-
Subclass
1-benzopyrans
- Level 5 Dibenzopyrans
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Subclass
1-benzopyrans
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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
Phenolic glycosides Hexoses Chromones O-glycosyl compounds Arylsulfonic acids and derivatives 1-hydroxy-2-unsubstituted benzenoids Pyranones and derivatives Oxanes Vinylogous acids Sulfonyls Heteroaromatic compounds Organosulfonic acids Secondary alcohols Acetals Polyols Oxacyclic compounds Hydrocarbon derivatives Primary alcohols Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenolic glycoside - Xanthone - Hexose monosaccharide - Chromone - Glycosyl compound - O-glycosyl compound - Arylsulfonic acid or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Monosaccharide - Oxane - Pyran - Benzenoid - Organic sulfonic acid or derivatives - Sulfonyl - Vinylogous acid - Organosulfonic acid - Organosulfonic acid or derivatives - Heteroaromatic compound - Secondary alcohol - Polyol - Acetal - Oxacycle - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Alcohol - Primary alcohol - 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