input word = C00046929

Metabolite InformationStructural formula
Name Spongidine B
(+)-Spongidine B
Formula C25H35NO4
Mw 413.25660861
CAS RN 263143-54-0
C_ID C00046929 ,
InChIKey YKXZFFKYOZDVNS-FJYZSBFTNA-N
InChICode InChI=1S/C25H36NO4/c1-17(27)30-16-23(2)10-5-11-25(4)20(23)8-12-24(3)19-9-13-26(15-22(28)29)14-18(19)6-7-21(24)25/h9,13-14,20-21H,5-8,10-12,15-16H2,1-4H3,(H,28,29)/t20-,21-,23+,24-,25-/m0/s1
SMILES C1C[C@]([C@H]2[C@](C1)([C@@H]1[C@@](CC2)(c2c(CC1)cn(cc2)CC(=O)O)C)C)(C)COC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Spongia sp. Ref.
zoom in