Compound Identification
SMILES
O[C@@H]1[C@@H](O)[C@H](OC2=C3C=CC4=C(O)C=CC5=C4C3=C(C=C5)C3=CC=CC=C23)O[C@@H]([C@H]1O)C(O)=O
InChIKey
InChIKey=XZAGDEZGFQNXIS-SNYRDRRFSA-N
Formula
C26H20O8
Mass
460.438
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Pyrenes
- Subclass Benzopyrenes
-
Class
Pyrenes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Pyrenes
Subclass
Benzopyrenes
Intermediate Tree Nodes
Not available
Direct Parent
Benzopyrenes
Alternative Parents
Chrysenes Phenolic glycosides Phenanthrols Anthracenes O-glucuronides Naphthols and derivatives O-glycosyl compounds 1-hydroxy-2-unsubstituted benzenoids Beta hydroxy acids and derivatives Pyrans Oxanes Monosaccharides Secondary alcohols Monocarboxylic acids and derivatives Acetals Carboxylic acids Polyols Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzo-a-pyrene - Chrysene - Phenolic glycoside - Phenanthrol - Anthracene - Phenanthrene - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Glycosyl compound - 2-naphthol - 1-naphthol - O-glycosyl compound - 1-hydroxy-2-unsubstituted benzenoid - Beta-hydroxy acid - Hydroxy acid - Monosaccharide - Pyran - Oxane - Secondary alcohol - Monocarboxylic acid or derivatives - Acetal - Organoheterocyclic compound - Oxacycle - Carboxylic acid - Carboxylic acid derivative - Polyol - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzopyrenes. These are organic compounds containing a benzene fused to a pyrene(benzo[def]phenanthrene) ring system.
External Descriptors
Not available