Summary

IMPPAT Phytochemical identifier: IMPHY011533

Phytochemical name: 1,3,11-Tridecatriene-5,7,9-triyne, (Z,E)-

Synonymous chemical names:
(3z,11z) trideca-1,3,11-triene-5,7,9-triyne, 3-cis,11-trans and 3-trans,11-trans-trideca-1,3,11-triene-5,7-2-triyne

External chemical identifiers:
CID:5352706

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Chemical structure information

SMILES:
C=C/C=CC#CC#CC#C/C=C/C

InChI:
InChI=1S/C13H10/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-7H,1H2,2H3/b6-4+,7-5-

InChIKey:
KAGUESUDHDXNCN-GUBXDBFYSA-N

DeepSMILES:
C=C/C=CC#CC#CC#C/C=C/C

Functional groups:
C=C/C=CC#CC#CC#C/C=C/C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Enynes

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP-Likeness score: 2.886

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Chemical structure download