Compound Identification
SMILES
O=P(OC1CC2=C(OCC3=CC=CC=C3)C=C(OCC3=CC=CC=C3)C=C2OC1C1=CC(OCC2=CC=CC=C2)=C(OCC2=CC=CC=C2)C=C1)(OC1CC2=C(OCC3=CC=CC=C3)C=C(OCC3=CC=CC=C3)C=C2OC1C1=CC(OCC2=CC=CC=C2)=C(OCC2=CC=CC=C2)C=C1)OC1CC2=C(OCC3=CC=CC=C3)C=C(OCC3=CC=CC=C3)C=C2OC1C1=CC(OCC2=CC=CC=C2)=C(OCC2=CC=CC=C2)C=C1
InChIKey
InChIKey=MFALJFKRYFIDLV-UHFFFAOYSA-N
Formula
C129H111O19P
Mass
1996.262
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
-
Subclass
Flavans
-
Level 5
Flavan-3-ols
- Level 6 Catechins
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Level 5
Flavan-3-ols
-
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
Flavonoid 3-phosphates 1-benzopyrans Trialkyl phosphates Phenoxy compounds Phenol ethers Alkyl aryl ethers Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Catechin - Flavonoid 3-phosphate - Chromane - Benzopyran - 1-benzopyran - Trialkyl phosphate - Phenol ether - Phenoxy compound - Alkyl aryl ether - Benzenoid - Alkyl phosphate - Monocyclic benzene moiety - Phosphoric acid ester - Organic phosphoric acid derivative - Oxacycle - Organoheterocyclic compound - Ether - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - 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