Compound Identification
SMILES
COC1=C(OC)C=C(CCO[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(=O)\C=C\C3=CC(OC(C)=O)=C(OC(C)=O)C=C3)[C@H](O[C@@H]3O[C@@H](C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)[C@H]2OC(C)=O)C=C1
InChIKey
InChIKey=MSJUZWZZISHWKL-INWJFIRYSA-N
Formula
C45H54O22
Mass
946.905
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
-
Subclass
Hydroxycinnamic acids and derivatives
- Level 5 Coumaric acids and derivatives
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Subclass
Hydroxycinnamic acids and derivatives
-
Class
Cinnamic acids and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Hydroxycinnamic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Coumaric acids and derivatives
Alternative Parents
Cinnamic acid esters O-glycosyl compounds Disaccharides Tyrosols and derivatives Phenol esters Dimethoxybenzenes Styrenes Phenoxy compounds Anisoles Alkyl aryl ethers Fatty acid esters Oxanes Enoate esters Oxacyclic compounds Acetals Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Coumaric acid or derivatives - Cinnamic acid ester - Disaccharide - Glycosyl compound - O-glycosyl compound - Phenol ester - Tyrosol derivative - O-dimethoxybenzene - Dimethoxybenzene - Anisole - Phenoxy compound - Phenol ether - Styrene - Methoxybenzene - Alkyl aryl ether - Fatty acid ester - Monocyclic benzene moiety - Benzenoid - Oxane - Fatty acyl - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Organoheterocyclic compound - Acetal - Oxacycle - Carboxylic acid derivative - Ether - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.
External Descriptors
Not available