Compound Identification
SMILES
O[C@H]1CC2=C(O[C@H]1C1=CC(O)=C(O)C=C1)C([C@@H]1C3OC(=O)C4=C(C(O)=C(O)C(O)=C14)C1=C(O)C(O)=C(O)C=C1C(=O)OC3C1OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)OCC1O)=C(O)C=C2O
InChIKey
InChIKey=VFRPPNXPLILJQH-MTKYPWLISA-N
Formula
C49H36O27
Mass
1056.8
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Tannins
- Subclass Complex tannins
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Class
Tannins
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Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Tannins
Subclass
Complex tannins
Intermediate Tree Nodes
Not available
Direct Parent
Complex tannins
Alternative Parents
Catechins 3'-hydroxyflavonoids 3-hydroxyflavonoids 4'-hydroxyflavonoids 7-hydroxyflavonoids 5-hydroxyflavonoids Gallic acid and derivatives 1-benzopyrans 2-benzopyrans Catechols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Secondary alcohols Lactones Carboxylic acid esters Polyols Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Complex tannin - Catechin - 3'-hydroxyflavonoid - 3-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Flavan-3-ol - Hydroxyflavonoid - Flavan - Gallic acid or derivatives - Chromane - Benzopyran - Isochromane - 2-benzopyran - 1-benzopyran - Catechol - Phenol - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Carboxylic acid ester - Lactone - Secondary alcohol - Oxacycle - Carboxylic acid derivative - Polyol - Organoheterocyclic compound - Ether - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Alcohol - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as complex tannins. These are tannins made of a catechin bound to a gallotannin or elagitannin.
External Descriptors
Not available