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 C12C(C(O[C@H](O1)C=C(C)C)(C)C)OC1[C@]3(C2O3)[C@]2([C@](CC1)([C@@]1(C(CC2)Cc2c1[nH]c1c2c2c(cc1)C(=O)C1C(C2)C(OC1(C)C)(C)C)C)C)O
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.
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