Compound Identification
SMILES
COC(=O)C1=C(C2=C(N1)C(=O)OC1=CC(OC)=C(OC)C=C21)C1=CC(OC)=C(OC)C=C1O
InChIKey
InChIKey=UFVMLPIKZUVITD-UHFFFAOYSA-N
Formula
C23H21NO9
Mass
455.419
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyrroles
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Subclass
Substituted pyrroles
- Level 5 Phenylpyrroles
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Subclass
Substituted pyrroles
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Class
Pyrroles
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrroles
Subclass
Substituted pyrroles
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrroles
Alternative Parents
Coumarins and derivatives 1-benzopyrans Methoxyphenols Dimethoxybenzenes 4-alkoxyphenols Pyrrole carboxylic acids and derivatives Phenoxy compounds Anisoles Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Methyl esters Heteroaromatic compounds Lactones Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylpyrrole - Coumarin - 1-benzopyran - Dimethoxybenzene - O-dimethoxybenzene - Methoxyphenol - Benzopyran - 4-alkoxyphenol - Pyrrole-2-carboxylic acid or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Pyranone - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Pyran - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Oxacycle - Azacycle - Ether - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond.
External Descriptors
Not available