input word = C00012136

Metabolite InformationStructural formula
Name Tifruticin
Formula C20H26O7
Mw 378.16785319
CAS RN 56377-69-6
C_ID C00012136 ,
InChIKey ZOAAAVOEQYLODT-BMAVJEOTNA-N
InChICode InChI=1S/C20H26O7/c1-6-9(2)18(22)26-13-8-20(5,24)17-16(27-17)15(21)10(3)7-12-14(13)11(4)19(23)25-12/h6-7,12-17,21,24H,4,8H2,1-3,5H3/b9-6-,10-7-/t12-,13-,14+,15-,16-,17-,20-/m1/s1
SMILES C\1=C(\[C@H]([C@@H]2[C@H]([C@](C[C@H]([C@@H]3[C@@H]1OC(=O)C3=C)OC(=O)/C(=C\C)/C)(C)O)O2)O)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeTithonia fruticosa Ref.
zoom in