Compound Identification
SMILES
[H][C@@]1(C[C@](C)(O)[C@]([H])(C(O)=O)C2=CC3=C(C(O)=C12)C(=O)C1=C(OC2([H])OC([H])(C(O)=O)C([H])(O)C([H])(O)C2([H])O)C=CC(O)=C1C3([H])O)OS(O)(=O)=O
InChIKey
InChIKey=VWNZRDQZYGEHPM-HQEBPSMHSA-N
Formula
C26H26O18S
Mass
658.54
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Anthracenes
-
Subclass
Anthracenecarboxylic acids and derivatives
- Level 5 Anthracenecarboxylic acids
-
Subclass
Anthracenecarboxylic acids and derivatives
-
Class
Anthracenes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Anthracenes
Subclass
Anthracenecarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Anthracenecarboxylic acids
Alternative Parents
Phenolic glycosides O-glucuronides Naphthalenecarboxylic acids Hexoses O-glycosyl compounds Tetralins Aryl ketones Beta hydroxy acids and derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Sulfuric acid monoesters Pyrans Oxanes Dicarboxylic acids and derivatives Alkyl sulfates Vinylogous acids Tertiary alcohols Secondary alcohols Polyols Oxacyclic compounds Carboxylic acids Acetals Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracene carboxylic acid - Phenolic glycoside - O-glucuronide - 1-o-glucuronide - 1-naphthalenecarboxylic acid or derivatives - 1-naphthalenecarboxylic acid - Glucuronic acid or derivatives - Hexose monosaccharide - O-glycosyl compound - Glycosyl compound - Tetralin - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Beta-hydroxy acid - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Pyran - Oxane - Monosaccharide - Hydroxy acid - Dicarboxylic acid or derivatives - Vinylogous acid - Tertiary alcohol - Organic sulfuric acid or derivatives - Secondary alcohol - Ketone - Oxacycle - Organoheterocyclic compound - Polyol - Carboxylic acid - Carboxylic acid derivative - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as anthracenecarboxylic acids. These are organic compounds containing a carboxylic acid group attached to an anthracene ring system.
External Descriptors
Not available