Compound Identification
SMILES
OC1CC2=C(OC1C1=CC(=O)C3(O)OC11OC4CC5=C(OC4C4=CC(O)=C(O)C3=C14)C=C(O)C=C5O)C=C(O)C=C2O
InChIKey
InChIKey=YTYXPCWJXBICMN-UHFFFAOYSA-N
Formula
C29H22O13
Mass
578.482
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Flavonoids
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Subclass
Flavans
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Level 5
Flavan-3-ols
- Level 6 Catechins
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Level 5
Flavan-3-ols
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Subclass
Flavans
-
Class
Flavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Flavonoids
Subclass
Flavans
Intermediate Tree Nodes
Flavan-3-ols
Direct Parent
Catechins
Alternative Parents
Pyranoflavonoids Diterpenoids Benzotropolones 2-benzopyrans 1-benzopyrans Isocoumarans Furopyrans Ketals Dihydropyranones Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Oxanes Hemiketals Acyloins Furans Enones Dihydrofurans Alpha-hydroxy ketones Acryloyl compounds Secondary alcohols Polyols Oxacyclic compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Catechin - Pyranoflavonoid - Diterpenoid - Benzotropolone - 2-benzopyran - 1-benzopyran - Isochromane - Benzopyran - Chromane - Isocoumaran - Furopyran - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Ketal - Dihydropyranone - Alkyl aryl ether - Benzenoid - Pyran - Oxane - Hemiketal - Acyloin - Alpha,beta-unsaturated ketone - Furan - Enone - Dihydrofuran - Alpha-hydroxy ketone - Acryloyl-group - Secondary alcohol - Ketone - Oxacycle - Organoheterocyclic compound - Polyol - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as catechins. These are compounds containing a catechin moiety, which is a 3,4-dihydro-2-chromene-3,5.7-tiol.
External Descriptors
Not available