Compound Identification
SMILES
OC(=O)CC\C=C/C[C@@H]1CO[C@@H](O[C@@H]1C1=CC=CC=C1O)C1=CC=C(OCCCCCCOC2=C(OCCN3C=CN=C3)C=CC(=C2)C(O)=O)C=C1
InChIKey
InChIKey=PXMQCSAQPXPONH-KFDCOWKXSA-N
Formula
C40H46N2O10
Mass
714.812
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acids
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Subclass
Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acids
Alternative Parents
Phenoxy compounds Phenol ethers Medium-chain fatty acids Imidazolyl carboxylic acids and derivatives Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Hydroxy fatty acids Amino fatty acids Heterocyclic fatty acids Unsaturated fatty acids 1,3-dioxanes N-substituted imidazoles Dicarboxylic acids and derivatives Heteroaromatic compounds Oxacyclic compounds Acetals Azacyclic compounds Carboxylic acids Organic oxides Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoic acid - Imidazolyl carboxylic acid derivative - Phenoxy compound - Phenol ether - Medium-chain fatty acid - Benzoyl - Hydroxy fatty acid - 1-hydroxy-4-unsubstituted benzenoid - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Heterocyclic fatty acid - Alkyl aryl ether - Amino fatty acid - N-substituted imidazole - Meta-dioxane - Fatty acid - Fatty acyl - Dicarboxylic acid or derivatives - Unsaturated fatty acid - Imidazole - Heteroaromatic compound - Azole - Acetal - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Azacycle - Ether - Organoheterocyclic compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
External Descriptors
Not available