input word = C00026509

Metabolite InformationStructural formula
Name Lolitrem N
Formula C37H49NO7
Mw 619.35090293
CAS RN 201214-59-7
C_ID C00026509 ,
InChIKey GIHSQRKLXKCZNX-JPIDHZHPNA-N
InChICode InChI=1S/C37H49NO7/c1-31(2,41)29-27(40)30-37(44-30)23(43-29)12-13-34(7)35(8)17(11-14-36(34,37)42)15-20-24-19-16-21-25(33(5,6)45-32(21,3)4)26(39)18(19)9-10-22(24)38-28(20)35/h9-10,17,21,23,25,27,29-30,38,40-42H,11-16H2,1-8H3/t17-,21-,23-,25-,27+,29-,30?,34+,35+,36-,37-/m0/s1
SMILES [C@H]12[C@@]([C@@]3([C@@](CC1)([C@@]14[C@H](CC3)O[C@@H]([C@H]([C@H]1O4)O)C(O)(C)C)O)C)(c1c(C2)c2c([nH]1)ccc1c2C[C@H]2[C@@H](C1=O)C(OC2(C)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 Ref.
--Neotyphodium lolii Lp19 Ref.
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