Compound Identification
SMILES
COC1=C(O)C=CC2=C1O[C@@H]([C@@H](O)[C@@H]2O)C1=CC(O)=C(O)C=C1
InChIKey
InChIKey=ILQKGSIPOHRREM-HZSPNIEDSA-N
Formula
C16H16O7
Mass
320.297
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
8-O-methylated flavonoids 3'-hydroxyflavonoids 3-hydroxyflavonoids 4'-hydroxyflavonoids 4-hydroxyflavonoids 7-hydroxyflavonoids 1-benzopyrans Anisoles Catechols Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Secondary alcohols 1,2-diols Oxacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
8-methoxyflavonoid-skeleton - Leucoanthocyanidin-skeleton - 3'-hydroxyflavonoid - 3-hydroxyflavonoid - 4'-hydroxyflavonoid - Hydroxyflavonoid - 4-hydroxyflavonoid - 7-hydroxyflavonoid - Chromane - Benzopyran - 1-benzopyran - Anisole - Catechol - Phenol ether - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - 1,2-diol - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Polyol - Ether - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Alcohol - 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
LIPIDMAPS (LMPK12020194) : Flavans, Flavanols and Leucoanthocyanidins