Compound Identification
SMILES
CO[C@H]1CC2=C(O[C@@H]1C1=CC(OC)=C(OC)C(OC)=C1)C([C@@H]1[C@@H]3OC(=O)C4=C(C(OC)=C(OC)C(OC)=C14)C1=C(OC)C(OC)=C(OC)C=C1C(=O)O[C@H]3[C@@H]1OC(=O)C3=C(OC)C(OC)=C(OC)C=C3C3=C(OC)C(OC)=C(OC)C=C3C(=O)OC[C@H]1OC(=O)C1=CC(OC)=C(OC)C(OC)=C1)=C(O)C=C2OC
InChIKey
InChIKey=HGQLCNYIDYHZPM-QKTCSPCRSA-N
Formula
C76H80O32
Mass
1505.444
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
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 3'-O-methylated flavonoids 3-O-methylated flavonoids 4'-O-methylated flavonoids 5-O-methylated flavonoids 7-hydroxyflavonoids Gallic acid and derivatives P-methoxybenzoic acids and derivatives M-methoxybenzoic acids and derivatives Benzoic acid esters 1-benzopyrans 2-benzopyrans Benzoyl derivatives Anisoles Methoxybenzenes Phenoxy compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Carboxylic acid esters Lactones Dialkyl ethers Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Complex tannin - Epigallocatechin - Catechin - 3p-methoxyflavonoid-skeleton - 3-methoxyflavonoid-skeleton - 4p-methoxyflavonoid-skeleton - 5-methoxyflavonoid-skeleton - 7-hydroxyflavonoid - Flavan-3-ol - Hydroxyflavonoid - Flavan - Gallic acid or derivatives - M-methoxybenzoic acid or derivatives - P-methoxybenzoic acid or derivatives - Chromane - Benzopyran - Benzoate ester - 1-benzopyran - 2-benzopyran - Isochromane - Benzoic acid or derivatives - Phenol ether - Anisole - Benzoyl - Methoxybenzene - Phenoxy compound - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Benzenoid - Monocyclic benzene moiety - Lactone - Carboxylic acid ester - Ether - Organoheterocyclic compound - Oxacycle - Dialkyl ether - Carboxylic acid derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - 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