input word = C00055956

Metabolite InformationStructural formula
Name N-Jasmonoylisoleucine
Jasmonoyl-L-isoluecine
Formula C18H29NO4
Mw 323.20965842
CAS RN 120330-93-0
C_ID C00055956
InChIKey IBZYPBGPOGJMBF-QRHMYKSGSA-N
InChICode InChI=1S/C18H29NO4/c1-4-6-7-8-14-13(9-10-15(14)20)11-16(21)19-17(18(22)23)12(3)5-2/h6-7,12-14,17H,4-5,8-11H2,1-3H3,(H,19,21)(H,22,23)/b7-6-/t12-,13+,14+,17-/m0/s1
SMILES CC/C=CC[C@@H]1[C@@H](CC(N[C@H](C(O)=O)[C@H](CC)C)=O)CCC1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeVicia faba Ref.
PlantaePinaceaePinus mugo Ref.
PlantaeRosaceaePrunus avium Ref.
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OrganismPinus mugo
ReferenceCross, B.E. et al., JCS(C), 1970, 1839-1842 (Jasmonoylisoleucine, Dihydrojasmonoylisoleucine)