Compound Identification
SMILES
OC[C@H]1O[C@H](OC2=C(CC3=CC(CC4=CC(=C(O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)C=C4)C4=CC(CC(O)=O)=CC=C4)=CC(CC4=CC(=C(O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)C=C4)C4=CC(CC(O)=O)=CC=C4)=C3)C=C(CC(O)=O)C=C2)[C@@H](O)[C@@H](O)[C@@H]1O
InChIKey
InChIKey=AAQLEHRIJRLCOE-SJYYXBFGSA-N
Formula
C63H68O24
Mass
1209.213
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Diarylheptanoids
- Subclass Linear diarylheptanoids
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Class
Diarylheptanoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Diarylheptanoids
Subclass
Linear diarylheptanoids
Intermediate Tree Nodes
Not available
Direct Parent
Linear diarylheptanoids
Alternative Parents
Fatty acyl glycosides of mono- and disaccharides Phenolic glycosides Diphenylmethanes Alkyl glycosides Biphenyls and derivatives O-glycosyl compounds Tricarboxylic acids and derivatives Phenoxy compounds Phenol ethers Monosaccharides Oxanes Secondary alcohols Acetals Polyols Carboxylic acids Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Primary alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - Phenolic glycoside - Fatty acyl glycoside - Fatty acyl glycoside of mono- or disaccharide - Diphenylmethane - Alkyl glycoside - Biphenyl - O-glycosyl compound - Glycosyl compound - Tricarboxylic acid or derivatives - Phenoxy compound - Phenol ether - Fatty acyl - Monosaccharide - Oxane - Monocyclic benzene moiety - Benzenoid - Secondary alcohol - Acetal - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Organoheterocyclic compound - Polyol - Alcohol - Carbonyl group - Organic oxygen compound - Organic oxide - Primary alcohol - Hydrocarbon derivative - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain.
External Descriptors
Not available