Compound Identification
SMILES
OC1=CC(=CC(O)=C1O)C(=O)CC1OC(C(C(C1C(=O)C1=CC(O)=C(O)C(O)=C1)C(=O)C1=CC(O)=C(O)C(O)=C1)C(=O)C1=CC(O)=C(O)C(O)=C1)C(=O)C1=CC(O)=C(O)C(O)=C1
InChIKey
InChIKey=QJXGMJUESCZGAK-UHFFFAOYSA-N
Formula
C41H32O21
Mass
860.686
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
Alkyl-phenylketones Aromatic monoterpenoids Iridoids and derivatives Monocyclic monoterpenoids Pyrogallols and derivatives Aryl alkyl ketones Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Oxanes Pyrans Dialkyl ethers Polyols Oxacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - Alkyl-phenylketone - Secoiridoid-skeleton - Monocyclic monoterpenoid - Monoterpenoid - Aromatic monoterpenoid - Phenylketone - Benzenetriol - Pyrogallol derivative - Benzoyl - Aryl ketone - Aryl alkyl ketone - 1-hydroxy-4-unsubstituted benzenoid - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Pyran - Oxane - Benzenoid - Monocyclic benzene moiety - Ketone - Oxacycle - Dialkyl ether - Ether - Organoheterocyclic compound - Polyol - Organic oxygen compound - Organic oxide - 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