input word = C00012072

Metabolite InformationStructural formula
Name Rubaferinin
Formula C23H32O6
Mw 404.21988875
CAS RN 70476-16-3
C_ID C00012072 ,
InChIKey UFAJJJAXWIXIJS-JMQHQMGGNA-N
InChICode InChI=1S/C23H32O6/c1-13(2)19-18(28-22(26)15-8-9-16(24)17(12-15)27-5)11-14(3)7-6-10-23(4)21(29-23)20(19)25/h7-9,12-13,18-21,24-25H,6,10-11H2,1-5H3/b14-7+/t18-,19+,20+,21-,23-/m0/s1
SMILES C1C/C=C(/C[C@@H]([C@H]([C@H]([C@H]2[C@]1(O2)C)O)C(C)C)OC(=O)c1cc(c(cc1)O)OC)\C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeFerula rubroarenosa Ref.
zoom in