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Structure Information
Structure

Compound Identification

SMILES

COC1=C(O)C=CC(=C1)[C@H]1OC2=C(O[C@@H]1CO)C=CC(=C2)[C@H]1OC2=CC(O)=CC(O)=C2C(=O)[C@@H]1O.CCCCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC

InChIKey

InChIKey=DVVKYRYTKJSPEH-YNHOLTMCSA-N

Formula

C69H110NO18P

Mass

1272.602

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lignans, neolignans and related compounds

Class

Flavonolignans

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Flavonolignans

Alternative Parents

Molecular Framework

Not available

Substituents

Flavonolignan - Diacylglycero-3-phosphocholine - 3-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Hydroxyflavonoid - Flavanone - Flavanonol - Phenylbenzodioxane - 2-phenylbenzo-1,4-dioxane - Flavan - Glycero-3-phosphocholine - Phosphocholine - Chromone - Benzo-1,4-dioxane - Benzodioxane - 1-benzopyran - Methoxyphenol - Glycerophospholipid - Chromane - Benzopyran - Phenoxy compound - Phenol ether - Anisole - Aryl ketone - Aryl alkyl ketone - Methoxybenzene - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Choline - Fatty acid ester - Dialkyl phosphate - Phenol - Phosphoric acid ester - Alkyl phosphate - Monocyclic benzene moiety - Fatty acyl - Dicarboxylic acid or derivatives - Benzenoid - Organic phosphoric acid derivative - Para-dioxin - Vinylogous acid - Tetraalkylammonium salt - Quaternary ammonium salt - Ketone - Carboxylic acid ester - Secondary alcohol - Polyol - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Ether - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic salt - Carbonyl group - Primary alcohol - Organic nitrogen compound - Alcohol - Amine - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as flavonolignans. These are non-conventional lignans that derived from flavonoids. They are characterized by a p-dioxin ring substituted at one carbon atom by a C3C6 (phenylpropan) group and fused to the B-ring of the 2-phenylchromene moiety.

External Descriptors

Not available

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