input word = C00043776

Metabolite InformationStructural formula
Name Nodulisporic acid C2
(-)-Nodulisporic acid C2
Formula C43H59NO7
Mw 701.42915325
CAS RN 204205-71-0
C_ID C00043776 ,
InChIKey RJBBYXNTYMCJHA-AGZDUZSSNA-N
InChICode InChI=1S/C43H59NO7/c1-21(2)11-13-24-31-25(28-19-38(4,5)51-39(6,7)32(28)35(31)46)18-26-27-17-23-12-14-30-40(8,42(23,10)36(27)44-33(24)26)15-16-43(49)41(30,9)20-29(50-43)34(45)22(3)37(47)48/h11,18-19,22-23,29-30,32,34-35,44-46,49H,12-17,20H2,1-10H3,(H,47,48)/t22-,23-,29-,30+,32+,34+,35+,40-,41-,42+,43-/m0/s1
SMILES CC(C)=CCc1c2c(cc3c4c([nH]c13)[C@@]1(C)[C@@H](CC[C@@H]3[C@]1(C)CC[C@]1(O)O[C@H]([C@H](O)[C@H](C)C(=O)O)C[C@@]31C)C4)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]2O
Start Substs in Alk. Biosynthesis (Prediction) Indole-3 GGPP
Organism
Kingdom Family Species Reference
--Nodulisporium sp.MF5954 Ref.
zoom in