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 [C@H]12[C@@]([C@@]3([C@@H](CC1)[C@]1([C@](CC3)(O[C@@H](C1)[C@@H]([C@@H](C(=O)O)C)O)O)C)C)(c1c(C2)c2c([nH]1)c(c1c(c2)C2=CC(OC([C@H]2[C@@H]1O)(C)C)(C)C)CC=C(C)C)C
Start Substs in Alk. Biosynthesis (Prediction) Indole-3 GGPP
Organism
Kingdom Family Species Reference
--Nodulisporium sp.MF5954 Ref.
zoom in