Compound Identification
SMILES
O[C@H]1CC2=C(O)C3=C(OC45[C@H]3[C@@H]3OC(=O)C4C(=C(O)C5=O)C4=C(O)C(O)=C(O)C5=C4C(=O)O[C@H]3[C@@H]3OC(=O)C4=C(O)C(O)=C(O)C=C4C4=C(O)C(O)=C(O)C=C4C(=O)OC[C@H]3OC(=O)C3=CC(O)=C(O)C(O)=C53)C=C2O[C@@H]1C1=CC(O)=C(O)C(O)=C1
InChIKey
InChIKey=AHZDZHIGZKAUBD-SCYBQDIZSA-N
Formula
C55H36O31
Mass
1192.862
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
Epigallocatechins 6-prenylated flavans Furanoflavonoids and dihydrofuranoflavonoids 3'-hydroxyflavonoids 3-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids Gallic acid and derivatives 1-benzopyrans Pyrogallols and derivatives Coumarans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Delta valerolactones Alkyl aryl ethers Oxanes Vinylogous acids Ketones Secondary alcohols Carboxylic acid esters Polyols Monocarboxylic acids and derivatives Enols Oxacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Complex tannin - Epigallocatechin - Catechin - 6-prenylated flavan - Furanoflavonoid or dihydroflavonoid - 3'-hydroxyflavonoid - 3-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - Flavan-3-ol - Hydroxyflavonoid - Flavan - Flavonoid - Gallic acid or derivatives - 1-benzopyran - Chromane - Benzopyran - Pyrogallol derivative - Coumaran - Benzenetriol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Delta valerolactone - Alkyl aryl ether - Delta_valerolactone - 1-hydroxy-4-unsubstituted benzenoid - Oxane - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Secondary alcohol - Lactone - Ketone - Carboxylic acid ester - Carboxylic acid derivative - Organoheterocyclic compound - Polyol - Monocarboxylic acid or derivatives - Ether - Oxacycle - Enol - Organic oxide - Carbonyl group - Organic oxygen compound - Organooxygen compound - Alcohol - Hydrocarbon derivative - 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