input word = C00023577

Metabolite InformationStructural formula
Name Lolitrem E
Lolitrem C
Formula C42H57NO7
Mw 687.41350318
CAS RN 155964-95-7
C_ID C00023577 ,
InChIKey XERCMAQJPCQQAO-GFKZRSCZNA-N
InChICode InChI=1S/C42H57NO7/c1-21(2)15-18-47-38(7,8)34-32(45)35-42(49-35)28(48-34)14-16-39(9)40(10)22(13-17-41(39,42)46)19-25-29-24-20-26-30(37(5,6)50-36(26,3)4)31(44)23(24)11-12-27(29)43-33(25)40/h11-12,15,22,26,28,30,32,34-35,43,45-46H,13-14,16-20H2,1-10H3/t22-,26+,28-,30-,32+,34-,35+,39+,40?,41-,42?/m0/s1
SMILES c1c2c(c3c(c1)[nH]c1c3C[C@H]3[C@]1([C@@]1([C@@](CC3)([C@@]34[C@H](CC1)O[C@@H]([C@H]([C@H]3O4)O)C(C)(C)OCC=C(C)C)O)C)C)C[C@@H]1[C@@H](C2=O)C(OC1(C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiClavicipitaceaeEpichloe festucae Fg1 Ref.
FungiClavicipitaceaeEpichloe festucae Fl1 Ref.
PlantaePoaceaeLolium perenne L. Ref.
--Neotyphodium lolii Lp19 Ref.
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