(Q105200026)

English

(3Z)-3-[cyano(phenyl)methylidene]-5-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-2-oxo-10H-phenazine-1-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2,6-dimethyloctane monoterpenoid

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phenazine alkaloid

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mass

491.220891788 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₂₉N₃O₃

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canonical SMILES

N#CC(C=1C=CC=CC1)=C2C=C3C(NC=4C=CC=CC4N3CC=C(C)CCC=C(C)C)=C(C(=O)O)C2=O

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isomeric SMILES

CC(C)=CCC/C(C)=C/CN1C2=C/C(=C(/C#N)c3ccccc3)C(=O)C(C(=O)O)=C2Nc2ccccc21

1 reference

based on heuristic

inferred from InChI

found in taxon

Streptomyces prunicolor

1 reference

stated in

Structure of carquinostatin a, a new neuronal cell protecting substance produced by Streptomyces exfoliatus

Identifiers

InChI

InChI=1S/C31H29N3O3/c1-20(2)10-9-11-21(3)16-17-34-26-15-8-7-14-25(26)33-29-27(34)18-23(30(35)28(29)31(36)37)24(19-32)22-12-5-4-6-13-22/h4-8,10,12-16,18,33H,9,11,17H2,1-3H3,(H,36,37)/b21-16+,24-23+

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InChIKey

OUFOYESJSNKGDB-BUUFFXLRSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105200026)

(3Z)-3-[cyano(phenyl)methylidene]-5-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-2-oxo-10H-phenazine-1-carboxylic acid

Statements

Identifiers

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