Compound Identification
SMILES
OC([C@H]1O[C@]([O-])(C(=O)C2=CC(O)=C(O)C(O)=C2)[C@@](O)(C(=O)C2=CC(O)=C(O)C(O)=C2)[C@](O)(C(=O)C2=CC(O)=C(O)C(O)=C2)[C@@]1(O)C(=O)C1=CC(O)=C(O)C(O)=C1)C(=O)C1=CC(C(=O)C2=CC(O)=C(O)C(O)=C2)=C(O)C(O)=C1
InChIKey
InChIKey=PWHHGTLUDWKYOT-PUKXYSGDSA-N
Formula
C48H35O29
Mass
1075.78
Taxonomic Classification
Taxonomy Tree
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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
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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
Benzophenones Alkyl-phenylketones Aryl-phenylketones Diphenylmethanes C-glycosyl compounds Aromatic monoterpenoids Monocyclic monoterpenoids Iridoids and derivatives Pyrogallols and derivatives Aryl alkyl ketones Benzoyl derivatives Catechols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acyloins Pyrans Oxanes Monosaccharides Vinylogous acids Tertiary alcohols Alpha-hydroxy ketones Secondary alcohols Oxacyclic compounds Polyols Organic oxides Alkoxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - Benzophenone - Alkyl-phenylketone - Aryl-phenylketone - Diphenylmethane - C-glycosyl compound - Glycosyl compound - Secoiridoid-skeleton - Aromatic monoterpenoid - Monocyclic monoterpenoid - Monoterpenoid - Benzenetriol - Phenylketone - Pyrogallol derivative - Benzoyl - Catechol - Aryl alkyl ketone - Aryl ketone - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Pyran - Oxane - Monosaccharide - Monocyclic benzene moiety - Acyloin - Tertiary alcohol - Alpha-hydroxy ketone - Vinylogous acid - Secondary alcohol - Ketone - Polyol - Organoheterocyclic compound - Oxacycle - Organic oxygen compound - Alkoxide - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Organic anion - 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