input word = C00043778

Metabolite InformationStructural formula
Name Nodulisporic acid E
Formula C38H53NO3
Mw 571.40254456
CAS RN 766545-95-3
C_ID C00043778 ,
InChIKey PXWYOWVPPKWVSA-KKABWSPBNA-N
InChICode InChI=1S/C38H53NO3/c1-23(2)11-13-26-20-29-30-22-28-15-16-32-36(6,18-9-10-25(5)35(41)42)33(40)17-19-37(32,7)38(28,8)34(30)39-31(29)21-27(26)14-12-24(3)4/h10-12,20-21,28,32-33,39-40H,9,13-19,22H2,1-8H3,(H,41,42)/b25-10+/t28-,32-,33-,36-,37-,38+/m0/s1
SMILES [C@H]12[C@@]([C@@]3([C@@H](CC1)[C@]([C@H](CC3)O)(C)CC/C=C(/C(=O)O)\C)C)(c1c(C2)c2c([nH]1)cc(c(c2)CC=C(C)C)CC=C(C)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro Indole-3 GGPP
Organism
Kingdom Family Species Reference
--Nodulisporium sp.MF5954 Ref.
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OrganismNodulisporium sp.MF5954
ReferenceSingh,J.Nat.Prod.,67,(2004),1496