Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)[C@H]1OC2=CC(OC)=C([C@H](O)[C@@H]3OC(=O)C4=CC(OC)=C(OC)C(OC)=C4C4=C(OC)C(OC)=C(OC)C=C4C(=O)O[C@H]3[C@@H]3OC(=O)C4=CC(OC)=C(OC)C(OC)=C4C4=C(OC)C(OC)=C(OC)C=C4C(=O)OC[C@H]3O)C(OC)=C2C[C@H]1O
InChIKey
InChIKey=MCYFXUCQIDFSRF-CFICRNSGSA-N
Formula
C65H70O28
Mass
1299.247
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
-
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'-O-methylated flavonoids 4'-O-methylated flavonoids 5-O-methylated flavonoids 7-O-methylated flavonoids 3-hydroxyflavonoids Gallic acid and derivatives 1-benzopyrans Dimethoxybenzenes Phenoxy compounds Anisoles Alkyl aryl ethers Secondary alcohols Lactones Carboxylic acid esters Oxacyclic compounds Hydrocarbon derivatives Organic oxides Aromatic alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Complex tannin - Catechin - 3p-methoxyflavonoid-skeleton - 4p-methoxyflavonoid-skeleton - 5-methoxyflavonoid-skeleton - 7-methoxyflavonoid-skeleton - 3-hydroxyflavonoid - Flavan-3-ol - Hydroxyflavonoid - Flavan - Gallic acid or derivatives - O-dimethoxybenzene - Dimethoxybenzene - 1-benzopyran - Benzopyran - Chromane - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Carboxylic acid ester - Secondary alcohol - Lactone - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Ether - Organooxygen compound - Organic oxide - Aromatic alcohol - Organic oxygen 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