Summary

IMPPAT Phytochemical identifier: IMPHY013664

Phytochemical name: Nonacos-1-en-4-one

Synonymous chemical names:
nonacos-1-en-4-one

External chemical identifiers:
CID:129829166, ZINC:ZINC000238776030

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)CC=C

InChI:
InChI=1S/C29H56O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-29(30)27-4-2/h4H,2-3,5-28H2,1H3

InChIKey:
ARRPWRMBAFGNLC-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCC=O)CC=C

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

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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: Oxygenated hydrocarbons

NP-Likeness score: 0.4

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Chemical structure download