Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID011117

Phytochemical name: (Z,Z)-Heptadeca-1,8,11-triene

Synonymous chemical names:
dihydroaplotaxene

External chemical identifiers:
CID:CID_5352709

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Chemical structure information

SMILES:
CCCCC/C=C\C/C=C\CCCCCC=C

InChI:
InChI=1S/C17H30/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,12,14-15,17H,1,4-11,13,16H2,2H3/b14-12-,17-15-

InChIKey:
XFZBIINLEPBMDY-NERFDCTISA-N

DeepSMILES:
CCCCC/C=C\C/C=C\CCCCCC=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: 1.323

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Chemical structure download