input word = C00051938

Metabolite InformationStructural formula
Name Lolitrem B
Formula C42H55NO7
Mw 685.39785312
CAS RN 81771-19-9
C_ID C00051938
InChIKey
InChICode InChI=1S/C42H55NO7/c1-20(2)17-28-47-32-34(38(7,8)48-28)46-27-14-15-39(9)40(10)21(13-16-41(39,45)42(27)35(32)49-42)18-24-29-23-19-25-30(37(5,6)50-36(25,3)4)31(44)22(23)11-12-26(29)43-33(24)40/h11-12,17,21,25,27-28,30,32,34-35,43,45H,13-16,18-19H2,1-10H3/t21?,25?,27?,28-,30?,32?,34?,35?,39+,40+,41-,42-/m0/s1
SMILES CC(C)=C[C@H]1OC2C(OC3CC[C@@]4(C)[C@@](O)(CCC5Cc6c([nH]c7ccc8c(c67)CC6C(C8=O)C(C)(C)OC6(C)C)[C@@]54C)[C@]34OC24)C(C)(C)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiClavicipitaceaeEpichloe festucae Ref.
FungiClavicipitaceaeEpichloe festucae Fg1 Ref.
FungiClavicipitaceaeEpichloe festucae Fl1 Ref.
--Neotyphodium lolii Ref.
--Neotyphodium lolii Lp19 Ref.
zoom in