Compound Identification
SMILES
COC1=C2C3C(=O)O[C@@H]([C@H]4C5=C(OC)C=C6O[C@@H]([C@H](O)CC6=C5OC34C1=O)C1=CC(OC)=C(OC)C=C1)[C@@H](OC(=O)C1=CC(OC)=C(OC)C(OC)=C21)[C@H]1OC(=O)C2=CC(OC)=C(OC)C(OC)=C2C2=C(OC)C(OC)=C(OC)C=C2C(=O)OC[C@@H]1OC(=O)C1=CC(OC)=C(OC)C(OC)=C1
InChIKey
InChIKey=QRGJECFZMYFXMA-ZZCIMLPLSA-N
Formula
C71H70O30
Mass
1403.311
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 6-prenylated flavans Furanoflavonoids and dihydrofuranoflavonoids 7-O-methylated flavonoids 3'-O-methylated flavonoids 4'-O-methylated flavonoids 3-hydroxyflavonoids Gallic acid and derivatives M-methoxybenzoic acids and derivatives P-methoxybenzoic acids and derivatives Dimethoxybenzenes Benzoic acid esters 1-benzopyrans Coumarans Anisoles Phenoxy compounds Benzoyl derivatives Alkyl aryl ethers Delta valerolactones Oxanes Secondary alcohols Ketones Carboxylic acid esters Monocarboxylic acids and derivatives Oxacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Complex tannin - Catechin - 6-prenylated flavan - Furanoflavonoid or dihydroflavonoid - 3p-methoxyflavonoid-skeleton - 4p-methoxyflavonoid-skeleton - 7-methoxyflavonoid-skeleton - 3-hydroxyflavonoid - Flavan-3-ol - Hydroxyflavonoid - Flavan - Flavonoid - Gallic acid or derivatives - P-methoxybenzoic acid or derivatives - M-methoxybenzoic acid or derivatives - 1-benzopyran - Benzoate ester - Chromane - Benzopyran - Dimethoxybenzene - O-dimethoxybenzene - Coumaran - Benzoic acid or derivatives - Anisole - Phenol ether - Benzoyl - Methoxybenzene - Phenoxy compound - Alkyl aryl ether - Delta_valerolactone - Delta valerolactone - Benzenoid - Monocyclic benzene moiety - Oxane - Ketone - Carboxylic acid ester - Secondary alcohol - Lactone - Oxacycle - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organooxygen compound - 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