Summary

IMPPAT Phytochemical identifier: IMPHY017541

Phytochemical name: 6-Methyl-5-hepten-2-one oxime

Synonymous chemical names:
6-methyl-5-hepten-2-one oxime (e+z,22)

External chemical identifiers:
CID:5925004, SureChEMBL:SCHEMBL11220967

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Chemical structure information

SMILES:
O/N=C(CCC=C(C)C)/C

InChI:
InChI=1S/C8H15NO/c1-7(2)5-4-6-8(3)9-10/h5,10H,4,6H2,1-3H3/b9-8-

InChIKey:
UUTIAUFCXVFAOM-HJWRWDBZSA-N

DeepSMILES:
O/N=CCCC=CC)C)))))/C

Functional groups:
C/C(C)=NO, CC=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: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 1.583

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Chemical structure download