Compound Identification
SMILES
OC[C@H]1O[C@H](OC2=CC(=CC(=C2)C(=O)CCCCCC(=O)C2=CC(O[C@@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]3O)=CC(=C2)C2=CC(CC(O)=O)=CC=C2)C2=CC(CC(O)=O)=CC=C2)[C@@H](O)[C@@H](O)[C@@H]1O
InChIKey
InChIKey=JPXXYMGCKZUNNA-HHNLBJAESA-N
Formula
C47H52O18
Mass
904.915
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
Phenolic glycosides Alkyl-phenylketones Biphenyls and derivatives Butyrophenones O-glycosyl compounds Aryl alkyl ketones Benzoyl derivatives Phenoxy compounds Phenol ethers Monosaccharides Dicarboxylic acids and derivatives Oxanes Secondary alcohols Carboxylic acids Polyols Oxacyclic compounds Acetals Hydrocarbon derivatives Primary alcohols Aldehydes Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - Phenolic glycoside - Alkyl-phenylketone - Biphenyl - Glycosyl compound - O-glycosyl compound - Butyrophenone - Phenylketone - Phenoxy compound - Benzoyl - Aryl alkyl ketone - Aryl ketone - Phenol ether - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Monosaccharide - Oxane - Benzenoid - Ketone - Secondary alcohol - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Acetal - Polyol - Organic oxygen compound - Carbonyl group - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Organic oxide - Aldehyde - Alcohol - 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