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Structure Information
Structure

Compound Identification

SMILES

COC12[C@@H]3N[C@@H]3CN1C1=C([C@@H]2COC(N)=O)C(=O)C(N2CCC(CC2)N2CCCCC2)=C(C)C1=O

InChIKey

InChIKey=XEJYVBQQSTWIRA-BFLORMLVSA-N

Formula

C25H35N5O5

Mass

485.585

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Indoles and derivatives

Subclass

Indolequinones

Intermediate Tree Nodes

Mitomycins, mitosane and mitosene derivatives

Direct Parent

Mitomycins

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Mitomycin - Indole - Quinone - Pyrrolizine - 4-aminopiperidine - 1,4-diazinane - Piperazine - Piperidine - Vinylogous amide - Carbamic acid ester - Pyrrolidine - Pyrroline - Ketone - Tertiary aliphatic amine - Tertiary amine - Azacycle - Enamine - Secondary aliphatic amine - Aziridine - Secondary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Amine - Organic nitrogen compound - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as mitomycins. These are polycyclic compounds with a structure based on an aziridine ring linked to a 7-amino-6-methyl-cyclohexa[b]pyrrolizine-5,8-dione.

External Descriptors

Not available

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