Compound Identification
SMILES
OC1[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC2=C1C=CC(O)=C2)C1=CC(O)=C(O)C=C1C1=C(O)C(O)=C(O)C=C1[C@H]1OC2=CC=CC=C2C[C@H]1OC(=O)C1=CC(O)=C(O)C(O)=C1
InChIKey
InChIKey=SGKUXQRESLAJOB-VEKDFDPISA-N
Formula
C44H34O19
Mass
866.737
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Flavonoids
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Subclass
Flavans
- Level 5 Leucoanthocyanidins
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Subclass
Flavans
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Class
Flavonoids
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Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Flavonoids
Subclass
Flavans
Intermediate Tree Nodes
Not available
Direct Parent
Leucoanthocyanidins
Alternative Parents
7-hydroxyflavonoids 4-hydroxyflavonoids Flavan-3-ols 4'-hydroxyflavonoids 3'-hydroxyflavonoids Biphenols Galloyl esters Biphenyls and derivatives p-Hydroxybenzoic acid alkyl esters m-Hydroxybenzoic acid esters 1-benzopyrans Pyrogallols and derivatives Catechols Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Secondary alcohols Carboxylic acid esters Oxacyclic compounds Polyols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Leucoanthocyanidin-skeleton - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - 4-hydroxyflavonoid - 7-hydroxyflavonoid - Flavan-3-ol - Hydroxyflavonoid - Biphenol - Galloyl ester - Biphenyl - Gallic acid or derivatives - P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - Benzoate ester - Chromane - Benzopyran - 1-benzopyran - Pyrogallol derivative - Benzenetriol - Benzoic acid or derivatives - Catechol - Benzoyl - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Secondary alcohol - Carboxylic acid ester - Polyol - Oxacycle - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Organic oxide - Alcohol - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as leucoanthocyanidins. These are flavonoids consisting of a flavan (3,4-dihydro-2-phenyl-2H-1-benzopyran) moiety that carries two hydroxy groups at the C3- and C4-positions.
External Descriptors
Not available