Summary

IMPPAT Phytochemical identifier: IMPHY016048

Phytochemical name: Tridec-1,3-diene-5,7,9,11-tetrayne

Synonymous chemical names:
tridec-1,3-diene-5,7,9,11-tetrayne

External chemical identifiers:
CID:528755

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Chemical structure information

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

InChI:
InChI=1S/C13H8/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3,5,7H,1H2,2H3

InChIKey:
PXQLZFYDZKYLPY-UHFFFAOYSA-N

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

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

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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: 2.947

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Chemical structure download