input word = C00026178

Metabolite InformationStructural formula
Name 9-Tigloylretronecine
9-Tiglylretronecine
Retronecine 9-(trans-2-methylcrotonate)
Formula C13H19NO3
Mw 237.13649348
CAS RN 63128-42-7
C_ID C00026178 ,
InChIKey VYUQPLFRNDQDHW-YNEWPRIUNA-N
InChICode InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-8-10-4-6-14-7-5-11(15)12(10)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3+/t11-,12-/m1/s1
SMILES C1C[C@H]([C@@H]2N1CC=C2COC(=O)/C(=C/C)/C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Arg L-Asp
Organism
Kingdom Family Species Reference
PlantaeBoraginaceaeArnebia decumbens Ref.
PlantaeBoraginaceaeEchium setosum Ref.
PlantaeBoraginaceaeEchium vulgare Ref.
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