Compound Identification
SMILES
[H][C@]12CC(=O)O[C@@]1([H])C1=C(C(=O)C3=C(C(O)=C4C(=C3O)[C@@]3(O)[C@]([H])(O)C[C@]4([H])O[C@@]3([H])C)C1=O)[C@]([H])(C)O2
InChIKey
InChIKey=QBQXQYSJPWXZJL-ZBDNEQCZSA-N
Formula
C22H20O10
Mass
444.392
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Anthracenes
- Subclass Anthraquinones
-
Class
Anthracenes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Anthracenes
Subclass
Anthraquinones
Intermediate Tree Nodes
Not available
Direct Parent
Anthraquinones
Alternative Parents
Benzoisochromanequinones Naphthopyranones 2-benzopyrans Tetralins Naphthalenes Furopyrans Aryl ketones Quinones Pyranones and derivatives Oxanes Gamma butyrolactones Furans Tertiary alcohols Tetrahydrofurans Vinylogous acids 1,2-diols Secondary alcohols Carboxylic acid esters Monocarboxylic acids and derivatives Dialkyl ethers Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthraquinone - 1,4-anthraquinone - Benzoisochromanequinone - Isochromanequinone - Naphthopyranone - Naphthopyran - Benzopyran - Isochromane - Naphthalene - Tetralin - 2-benzopyran - Furopyran - Quinone - Aryl ketone - Pyranone - Oxane - Gamma butyrolactone - Pyran - Furan - Vinylogous acid - Tetrahydrofuran - Tertiary alcohol - Lactone - Ketone - Secondary alcohol - Carboxylic acid ester - 1,2-diol - Polyol - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Organooxygen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as anthraquinones. These are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone.
External Descriptors
Not available