Compound Identification
SMILES
COC1=C(O)C(C(=O)\C=C\C=C\C=C/C(O)=O)=C(O)C(CCCCCC(O)=O)=C1O
InChIKey
InChIKey=CBVZKEVESCFLRS-UPLAUGARSA-N
Formula
C21H24O9
Mass
420.414
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenols
-
Subclass
Benzenetriols and derivatives
- Level 5 Phloroglucinols and derivatives
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Subclass
Benzenetriols and derivatives
-
Class
Phenols
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
Benzenetriols and derivatives
Intermediate Tree Nodes
Phloroglucinols and derivatives
Direct Parent
Acylphloroglucinols and derivatives
Alternative Parents
Methoxyphenols 4-alkoxyphenols Medium-chain keto acids and derivatives Anisoles Aryl ketones Benzoyl derivatives Methoxybenzenes Phenoxy compounds Hydroxy fatty acids Alkyl aryl ethers Dicarboxylic acids and derivatives Unsaturated fatty acids Enones Vinylogous acids Acryloyl compounds Carboxylic acids Polyols Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Acylphloroglucinol derivative - Methoxyphenol - 4-alkoxyphenol - Medium-chain keto acid - Phenoxy compound - Anisole - Methoxybenzene - Benzoyl - Aryl ketone - Phenol ether - Alkyl aryl ether - Hydroxy fatty acid - Fatty acyl - Monocyclic benzene moiety - Unsaturated fatty acid - Dicarboxylic acid or derivatives - Acryloyl-group - Vinylogous acid - Alpha,beta-unsaturated ketone - Enone - Ketone - Polyol - Carboxylic acid - Carboxylic acid derivative - Ether - Carbonyl group - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as acylphloroglucinols and derivatives. These are phloroglucinol derivatives characterized by the presence of a COR group.
External Descriptors
Not available