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J10

Summary
Name:Methyl farnesoate
Synonyms:(2E,6E)-Methyl 3,7,11-trimethyldodeca-2,6,10-trienoate
Formula:C16 H26 O2
Formal charge:0
Formula weight:250.376 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7methyl 3,7,11-trimethyldodeca-2,6,10-trienoate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C16H26O2/c1-13(2)8-6-9-14(3)10-7-11-15(4)12-16(17)18-5/h8,10,12H,6-7,9,11H2,1-5H3/b14-10?,15-12-
InChIKeyInChI1.03NWKXNIPBVLQYAB-JOIZPYPQSA-N
SMILES_CANONICALCACTVS3.385COC(=O)\C=C(\C)CC\C=C(/C)CCC=C(C)C
SMILESCACTVS3.385COC(=O)C=C(C)CCC=C(C)CCC=C(C)C
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(=CCCC(=CCCC(=CC(=O)OC)C)C)C
SMILESOpenEye OEToolkits2.0.7CC(=CCCC(=CCCC(=CC(=O)OC)C)C)C

222415

PDB entries from 2024-07-10

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