Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018204

Phytochemical name: 2-Nonadecanone, O-methyloxime

Synonymous chemical names:
2-Nonadecanone, O-methyloxime

External chemical identifiers:
CID:CID_9602204

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCC/C(=N/OC)/C

InChI:
InChI=1S/C20H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)21-22-3/h4-19H2,1-3H3/b21-20+

InChIKey:
BKTQRJUSOPOCQO-QZQOTICOSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCC/C=N/OC)))/C

Functional groups:
CO/N=C(/C)C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic nitrogen compounds

ClassyFire Class: Organonitrogen compounds

ClassyFire Subclass: Oximes

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 0.099

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Chemical structure download