Compound Identification
SMILES
O[C@H]1CC2=C(O)C=C3OC45[C@@H](C6OC(=O)C4C(=C(O)C5=O)C4=C(O)C(O)=C(O)C5=C4C(=O)OC6C4OC(=O)C6=CC(O)=C(O)C(O)=C6C6=C(O)C(O)=C(O)C=C6C(=O)OCC4OC(=O)C4=CC(O)=C(O)C(O)=C54)C3=C2O[C@@H]1C1=CC(O)=C(O)C=C1
InChIKey
InChIKey=GCVPUYDXNUQSNY-XJFXALPKSA-N
Formula
C55H36O30
Mass
1176.863
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
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 8-prenylated flavans 3'-hydroxyflavonoids 3-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids Gallic acid and derivatives 1-benzopyrans Coumarans Catechols Delta valerolactones Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Oxanes Secondary alcohols Ketones Carboxylic acid esters Enols Monocarboxylic acids and derivatives Oxacyclic compounds Polyols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Complex tannin - Catechin - 8-prenylated flavan - 3'-hydroxyflavonoid - 3-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - Flavan-3-ol - Hydroxyflavonoid - Flavan - Flavonoid - Gallic acid or derivatives - 1-benzopyran - Chromane - Benzopyran - Coumaran - Catechol - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Delta valerolactone - 1-hydroxy-4-unsubstituted benzenoid - Delta_valerolactone - Benzenoid - Oxane - Monocyclic benzene moiety - Lactone - Ketone - Carboxylic acid ester - Secondary alcohol - Monocarboxylic acid or derivatives - Oxacycle - Ether - Enol - Carboxylic acid derivative - Organoheterocyclic compound - Polyol - Alcohol - Organooxygen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - 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