Compound Identification
SMILES
[H][C@@]1(O)CC2=C(O)C=C(O)C=C2O[C@@]1([H])C1=CC2=CC(=CC(=O)C(O)=C2C(O)=C1O)[C@@]1([H])OC2=CC(O)=CC(O)=C2C[C@@]1([H])O
InChIKey
InChIKey=MKTFRRIBCBTOKJ-ZKJPTVPWSA-N
Formula
C29H24O12
Mass
564.499
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
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Subclass
Flavans
- Level 5 Flavan-3-ols
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Subclass
Flavans
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Class
Flavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Flavonoids
Subclass
Flavans
Intermediate Tree Nodes
Not available
Direct Parent
Flavan-3-ols
Alternative Parents
7-hydroxyflavonoids 5-hydroxyflavonoids 3-hydroxyflavonoids 3'-hydroxyflavonoids 1-benzopyrans Tropolones Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Secondary alcohols Cyclic ketones Polyols Oxacyclic compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3'-hydroxyflavonoid - 3-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Flavan-3-ol - Hydroxyflavonoid - 1-benzopyran - Chromane - Benzopyran - Tropolone - Tropone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Benzenoid - Secondary alcohol - Cyclic ketone - Oxacycle - Organoheterocyclic compound - Polyol - Ether - Organic oxide - Alcohol - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as flavan-3-ols. These are flavans that bear and hydroxyl group at position 3 (B ring), but not at position 4.
External Descriptors
Not available