Summary

IMPPAT Phytochemical identifier: IMPHY005964

Phytochemical name: 1,11-Tridecadiene

Synonymous chemical names:
1,11-tridecadiene

External chemical identifiers:
CID:5363398, SureChEMBL:SCHEMBL10630524

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Chemical structure information

SMILES:
C=CCCCCCCCC/C=C/C

InChI:
InChI=1S/C13H24/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-4,6H,1,5,7-13H2,2H3/b6-4+

InChIKey:
NJHSLELGHIYEBI-GQCTYLIASA-N

DeepSMILES:
C=CCCCCCCCC/C=C/C

Functional groups:
C/C=C/C, C=CC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Olefins

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 1.388

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Chemical structure download