Summary

IMPPAT Phytochemical identifier: IMPHY016856

Phytochemical name: 5-Methylheptan-3-one oxime

Synonymous chemical names:
stemone

External chemical identifiers:
CID:90787, FDASRS:XHN6C9A7U3

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Chemical structure information

SMILES:
CCC(CC(=NO)CC)C

InChI:
InChI=1S/C8H17NO/c1-4-7(3)6-8(5-2)9-10/h7,10H,4-6H2,1-3H3

InChIKey:
CBVWMGCJNPPAAR-UHFFFAOYSA-N

DeepSMILES:
CCCCC=NO))CC))))C

Functional groups:
CC(C)=NO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic nitrogen compounds

ClassyFire Class: Organonitrogen compounds

ClassyFire Subclass: Oximes

NP-Likeness score: 0.448

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Chemical structure download