Compound Identification
SMILES
COC(=O)C1C(O)C(C)C(O)OC1C(C)C(O)C(C)\C=C\C=C(/C)C(=O)NC1=C(C)C(OC(C)=O)=C2C(=C(O)C(C)=C3OCOC(\C(C)=C/C(C)=O)=C23)C1=O
InChIKey
InChIKey=YTYIHXOQIQCGOM-CXMDCUGESA-N
Formula
C40H49NO14
Mass
767.825
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Benzodioxins
- Subclass Benzo-m-dioxins
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Class
Benzodioxins
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodioxins
Subclass
Benzo-m-dioxins
Intermediate Tree Nodes
Not available
Direct Parent
Benzo-m-dioxins
Alternative Parents
Aryl ketones Beta hydroxy acids and derivatives Benzenoids Oxanes Dicarboxylic acids and derivatives N-acyl amines Acryloyl compounds Vinylogous acids Enol esters Enones Methyl esters Hemiacetals Secondary carboxylic acid amides Secondary alcohols Acetals Oxacyclic compounds Hydrocarbon derivatives Organopnictogen compounds Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzo-m-dioxin - Aryl ketone - Beta-hydroxy acid - Dicarboxylic acid or derivatives - Hydroxy acid - N-acyl-amine - Oxane - Benzenoid - Vinylogous acid - Methyl ester - Alpha,beta-unsaturated ketone - Acryloyl-group - Enone - Enol ester - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Carboxylic acid ester - Ketone - Hemiacetal - Oxacycle - Carboxylic acid derivative - Acetal - Organic oxide - Alcohol - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzo-m-dioxins. These are organic compounds containing a benzene ring fused to a 1,3-dioxin ring.
External Descriptors
Not available