Compound Identification
SMILES
OC1=C(O)C=C(\C=C2/C(=O)OCC2(O)C(=O)C2=CC(O)=C(O)C=C2)C=C1
InChIKey
InChIKey=DTECHVPDGIFJTE-VZUCSPMQSA-N
Formula
C18H14O8
Mass
358.302
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lignans, neolignans and related compounds
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Class
Furanoid lignans
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Subclass
Tetrahydrofuran lignans
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Level 5
9,9'-epoxylignans
- Level 6 Dibenzylbutyrolactone lignans
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Level 5
9,9'-epoxylignans
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Subclass
Tetrahydrofuran lignans
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Class
Furanoid lignans
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Superclass
Lignans, neolignans and related compounds
Kingdom
Organic compounds
Superclass
Lignans, neolignans and related compounds
Class
Furanoid lignans
Subclass
Tetrahydrofuran lignans
Intermediate Tree Nodes
9,9'-epoxylignans
Direct Parent
Dibenzylbutyrolactone lignans
Alternative Parents
Lignan lactones Alkyl-phenylketones Aryl alkyl ketones Benzoyl derivatives Catechols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Gamma butyrolactones Enoate esters Alpha-hydroxy ketones Oxolanes Tertiary alcohols Monocarboxylic acids and derivatives Oxacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Dibenzylbutyrolactone - Lignan lactone - Alkyl-phenylketone - Phenylketone - Benzoyl - Catechol - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Gamma butyrolactone - Benzenoid - Alpha-hydroxy ketone - Alpha,beta-unsaturated carboxylic ester - Oxolane - Enoate ester - Tertiary alcohol - Lactone - Ketone - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Alcohol - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as dibenzylbutyrolactone lignans. These are lignan compounds containing a 3,4-dibenzyloxolan-2-one moiety.
External Descriptors
Not available