Compound Identification
SMILES
O[C@H]1CC2=C(O[C@H]1C1=CC=C(O)C(O)=C1)C1=C(O[C@]34C5C(C(=O)C3=O)C3=C(O)C(O)=C(O)C=C3C(=O)O[C@H]([C@@H](OC5=O)[C@@H]14)[C@@H]1OC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(O)C(O)=C(O)C=C3C(=O)OC[C@H]1O)C=C2O
InChIKey
InChIKey=XETVPQRTLLLTBT-FXCUMRLOSA-N
Formula
C48H34O26
Mass
1026.774
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 5-hydroxyflavonoids 4'-hydroxyflavonoids 3-hydroxyflavonoids 3'-hydroxyflavonoids Tetracarboxylic acids and derivatives 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 Polyols Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Complex tannin - Catechin - 8-prenylated flavan - Hydroxyflavonoid - Flavan-3-ol - 5-hydroxyflavonoid - 4'-hydroxyflavonoid - 3-hydroxyflavonoid - 3'-hydroxyflavonoid - Flavan - Tetracarboxylic acid or derivatives - Gallic acid or derivatives - 1-benzopyran - Benzopyran - Chromane - Coumaran - Catechol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Delta_valerolactone - Delta valerolactone - Alkyl aryl ether - Benzenoid - Oxane - Monocyclic benzene moiety - Secondary alcohol - Lactone - Ketone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Polyol - Ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - 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