Compound Identification
SMILES
COC1=C(O)C=C(CCO[C@@H]2O[C@H](CO)[C@@H](OC(=O)\C=C\C3=CC(OC)=C(O)C=C3)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@H]4OC(C)(C)O[C@@H]34)[C@H]2O)C=C1
InChIKey
InChIKey=HRZDRCOTFGHXBR-CGEXRWSKSA-N
Formula
C34H44O15
Mass
692.711
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
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Subclass
Hydroxycinnamic acids and derivatives
- Level 5 Coumaric acids and derivatives
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Subclass
Hydroxycinnamic acids and derivatives
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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 Disaccharides O-glycosyl compounds Tyrosols and derivatives Methoxyphenols Dioxolopyrans Styrenes Anisoles Phenoxy compounds Methoxybenzenes 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Fatty acid esters Ketals Oxanes Enoate esters 1,3-dioxolanes Secondary alcohols Oxacyclic compounds Monocarboxylic acids and derivatives Primary alcohols Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumaric acid or derivatives - Cinnamic acid ester - Disaccharide - Glycosyl compound - O-glycosyl compound - Methoxyphenol - Tyrosol derivative - Dioxolopyran - Anisole - Phenoxy compound - Phenol ether - Styrene - Methoxybenzene - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - Alkyl aryl ether - Phenol - Ketal - Monocyclic benzene moiety - Fatty acyl - Oxane - Benzenoid - Enoate ester - Meta-dioxolane - Alpha,beta-unsaturated carboxylic ester - Secondary alcohol - Carboxylic acid ester - Ether - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Acetal - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic oxide - Organooxygen compound - Alcohol - Primary alcohol - Aromatic heteropolycyclic 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