Compound Identification
SMILES
Cl.COC1=CC(=CC(OC)=C1OC)C(=O)OC(CN1CCN(C)CC1)CN1N=CC2=C(OC)C(OC)=C(OC)C=C2C1=O
InChIKey
InChIKey=YWXOTYJCPCKTJI-UHFFFAOYSA-N
Formula
C29H39ClN4O9
Mass
623.1
Taxonomic Classification
Taxonomy Tree
-
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
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Level 5
Hydroxybenzoic acid derivatives
- Level 6 Gallic acid and derivatives
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Level 5
Hydroxybenzoic acid derivatives
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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
Phthalazinones P-methoxybenzoic acids and derivatives M-methoxybenzoic acids and derivatives Benzoic acid esters Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Pyridazinones N-methylpiperazines Alkyl aryl ethers Heteroaromatic compounds Trialkylamines Lactams Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Gallic acid or derivatives - Phthalazinone - P-methoxybenzoic acid or derivatives - M-methoxybenzoic acid or derivatives - Diazanaphthalene - Phthalazine - Benzoate ester - Phenoxy compound - Methoxybenzene - Phenol ether - Benzoyl - Anisole - N-alkylpiperazine - N-methylpiperazine - Pyridazinone - Alkyl aryl ether - Pyridazine - Piperazine - 1,4-diazinane - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Lactam - Carboxylic acid ester - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Amine - 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