Structure Information
Structure

Compound Identification

SMILES

OC(=O)\C=C\C([O-])=O.CCCC(=O)N1CCOC2=C1C=CC(OCC(O)C[NH2+]C(C)C)=C2

InChIKey

InChIKey=MXDDCVSFRDGAIJ-WLHGVMLRSA-N

Formula

C22H32N2O8

Mass

452.504

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzoxazines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzoxazines

Alternative Parents

Molecular Framework

Not available

Substituents

Benzomorpholine - Benzoxazine - Phenol ether - Alkyl aryl ether - Dicarboxylic acid or derivatives - Oxazinane - Fatty acyl - Fatty acid - Benzenoid - Unsaturated fatty acid - Quaternary ammonium salt - Tertiary carboxylic acid amide - Carboxylic acid salt - 1,2-aminoalcohol - Carboxamide group - Amino acid or derivatives - Secondary alcohol - Secondary aliphatic amine - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Azacycle - Ether - Secondary amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Alcohol - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzoxazines. These are organic compounds containing a benzene fused to an oxazine ring (a six-membered aliphatic ring with four carbon atoms, one oxygen atom, and one nitrogen atom).

External Descriptors

Not available

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