Mid0069: (S)-Panaxjapyne A


Name
(S)-Panaxjapyne A
IUPAC Name
(Z,3S)-heptadec-9-en-4,6-diyn-3-ol
Molecular Formula
C17H26O
Molecular Weight
246.4
Exact Mass
246.1983654
SMILES
CCCCCCCC=CCC#CC#CC(CC)O
InChIKey
PROIGOAKZLZHQV-MQNTZWLQSA-N
InChI
InChI=1S/C17H26O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h10-11,17-18H,3-9,12H2,1-2H3/b11-10-/t17-/m0/s1
Other Databases Link
CID_46872588
Structure
Classification
Alcohols
Crops containing this metabolite
sweet_potato
maize
soy
wheat
astragalus
Related MS2T Accessions