Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID004149

Phytochemical name: Nonacosan-10-one

Synonymous chemical names:
Nonacosan-10-one, nonacosan-10-one, Ginnone, 10-nonacosanone, ginnone

External chemical identifiers:
CID:CID_441490, ChEBI:CHEBI:7612, FDASRS:XU5WRR36WF, SureChEMBL:SCHEMBL9238245

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCC(=O)CCCCCCCCC

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

InChIKey:
ZPVRGRJHOPAZOE-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCC=O)CCCCCCCCC

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