Compound Identification
SMILES
CCCCCC[C@@H](OC(=S)N1C=CN=C1)[C@@H]1OC(=O)C2=CC(OCC3=CC=CC=C3)=C(OCC3=CC=CC=C3)C(OCC3=CC=CC=C3)=C12
InChIKey
InChIKey=JTKYLOCAYNWHIO-ILFWFZRHSA-N
Formula
C40H40N2O6S
Mass
676.83
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Hydroxybenzoic acid derivatives
- Level 6 Gallic acid and derivatives
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Level 5
Hydroxybenzoic acid derivatives
-
Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Hydroxybenzoic acid derivatives
Direct Parent
Gallic acid and derivatives
Alternative Parents
Phthalides Benzofuranones Phenol ethers Alkyl aryl ethers N-substituted imidazoles Heteroaromatic compounds Lactones Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Organosulfur compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Gallic acid or derivatives - Benzofuranone - Isobenzofuranone - Phthalide - Isocoumaran - Phenol ether - Alkyl aryl ether - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as gallic acid and derivatives. These are compounds containing a 3,4,5-trihydroxybenzoic acid moiety.
External Descriptors
Not available