input word = C00026173

Metabolite InformationStructural formula
Name 7-Tigloylheliotridine
Formula C13H19NO3
Mw 237.13649348
CAS RN 23179-52-4
C_ID C00026173 ,
InChIKey TYGYPIIOOQNWBU-RWKWOPATNA-N
InChICode InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3+/t11-,12+/m0/s1
SMILES C/C=C(C)C(=O)O[C@H]1CCN2CC=C(CO)[C@H]12
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Arg L-Asp
Organism
Kingdom Family Species Reference
PlantaeBoraginaceaeCynoglossum officinale Ref.
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