Compound Identification
SMILES
CCCC12OC3C(C(O[C@H]4C[C@@H](O)[C@@H](O)[C@H](C)O4)C(O)C1O[C@H]1CCC(O)[C@@H](C)O1)C2(O)C(=O)c1c(O)c2C(=O)C(=C(OC)C(=O)c2c(O)c31)c1c(O)c2c(O)c3C(=O)C4(O)C(Cc3cc2c(OC)c1OC)C(O[C@H]1C[C@@H](O)[C@@H](O)[C@H](C)O1)C(O)C(O[C@H]1CCC(O[C@H]2CC[C@](O)([C@H](C)O2)C(C)=O)[C@@H](C)O1)C4(O)CCC
InChIKey
InChIKey=QETQXVGQENIMIR-XYHXNMECSA-N
Formula
C77H100O34
Mass
1569.613
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
Naphthols and derivatives O-glycosyl compounds Tetralins Aryl alkyl ketones Anisoles Quinones Oxepanes Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Oxanes Cyclitols and derivatives Monosaccharides Alpha-hydroxy ketones Tertiary alcohols Tetrahydrofurans Vinylogous acids Vinylogous esters Secondary alcohols Oxacyclic compounds Polyols Acetals Dialkyl ethers Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,4-anthraquinone - Anthraquinone - Glycosyl compound - O-glycosyl compound - 1-naphthol - Tetralin - Naphthalene - Quinone - Aryl ketone - Aryl alkyl ketone - Anisole - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - Oxepane - Cyclitol or derivatives - Monosaccharide - Oxane - Cyclic alcohol - Tertiary alcohol - Tetrahydrofuran - Vinylogous acid - Vinylogous ester - Alpha-hydroxy ketone - Secondary alcohol - Ketone - Ether - Dialkyl ether - Acetal - Organoheterocyclic compound - Polyol - Oxacycle - Organic oxygen compound - Carbonyl group - Organooxygen 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