Compound Identification
SMILES
OCCC1C(O)OC2=C1C([O-])=C1C(=O)C3=C(O)C=C(O)C=C3C(=O)C1=C2
InChIKey
InChIKey=CMMJVRKBQZHKPV-UHFFFAOYSA-M
Formula
C18H13O8
Mass
357.295
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Anthracenes
-
Subclass
Anthraquinones
- Level 5 Hydroxyanthraquinones
-
Subclass
Anthraquinones
-
Class
Anthracenes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Anthracenes
Subclass
Anthraquinones
Intermediate Tree Nodes
Not available
Direct Parent
Hydroxyanthraquinones
Alternative Parents
Naphthofurans Coumarans Aryl ketones Phenoxides 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Hemiacetals Polyols Oxacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hydroxyanthraquinone - Naphthofuran - Coumaran - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Phenoxide - Vinylogous acid - Hemiacetal - Ketone - Oxacycle - Organoheterocyclic compound - Polyol - Alcohol - Organic oxygen compound - Primary alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic anion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as hydroxyanthraquinones. These are compounds containing a hydroxyanthraquinone moiety, which consists of an anthracene bearing a quinone, and hydroxyl group.
External Descriptors
META CYC (CPD-10171) : a secondary metabolite