Summary

IMPPAT Phytochemical identifier: IMPHY016966

Phytochemical name: 6-Octenal, 7-methyl-3-methylene-

Synonymous chemical names:
exo-isocitral

External chemical identifiers:
CID:108662, SureChEMBL:SCHEMBL8347185

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Chemical structure information

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

InChI:
InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,8H,3-4,6-7H2,1-2H3

InChIKey:
ODULZPPCXSTHDT-UHFFFAOYSA-N

DeepSMILES:
O=CCC=C)CCC=CC)C

Functional groups:
C=C(C)C, CC=C(C)C, CC=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 2.477

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Chemical structure download