input word = C00043774

Metabolite InformationStructural formula
Name Nodulisporic acid C
(-)-Nodulisporic acid C
Formula C43H57NO5
Mw 667.42367394
CAS RN 204205-66-3
C_ID C00043774 ,
InChIKey KYJMIMWHTSJVQB-RIXJFPQQNA-N
InChICode InChI=1S/C43H57NO5/c1-23(2)13-15-26-33-27(30-22-39(4,5)49-40(6,7)34(30)36(33)46)21-28-29-20-25-14-16-31-41(8,18-11-12-24(3)38(47)48)32(45)17-19-42(31,9)43(25,10)37(29)44-35(26)28/h11-13,18,21-22,25,31-32,34,36,44-46H,14-17,19-20H2,1-10H3,(H,47,48)/b18-11+,24-12+/t25-,31-,32-,34+,36+,41+,42-,43+/m0/s1
SMILES [C@H]12[C@@]([C@@]3([C@@H](CC1)[C@@]([C@H](CC3)O)(C)/C=C/C=C(/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