Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID012772

Phytochemical name: Z,Z-6,28-Heptatriacontadien-2-one

Synonymous chemical names:
z,z-6,28-heptatriactontadien-2-one

External chemical identifiers:
CID:CID_5365964

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Chemical structure information

SMILES:
CCCCCCCC/C=C\CCCCCCCCCCCCCCCCCCCC/C=C\CCCC(=O)C

InChI:
InChI=1S/C37H70O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37(2)38/h10-11,32-33H,3-9,12-31,34-36H2,1-2H3/b11-10-,33-32-

InChIKey:
CAULISZETWALPH-NINRRXIWSA-N

DeepSMILES:
CCCCCCCC/C=C\CCCCCCCCCCCCCCCCCCCC/C=C\CCCC=O)C

Functional groups:
CC(C)=O, C/C=C\C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons, Oxygenated hydrocarbons

NP-Likeness score: 0.481

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Chemical structure download