Summary

IMPPAT Phytochemical identifier: IMPHY011862

Phytochemical name: Nonacosan-6-one

Synonymous chemical names:
nonacosan-6-one

External chemical identifiers:
CID:86011308, ZINC:ZINC000086046465

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCC(=O)CCCCC

InChI:
InChI=1S/C29H58O/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-29(30)27-25-6-4-2/h3-28H2,1-2H3

InChIKey:
SLJTVONHKRXFCR-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCC=O)CCCCC

Functional groups:
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: 0.273

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Chemical structure download