input word = C00023578

Metabolite InformationStructural formula
Name Lolitriol
Formula C37H49NO7
Mw 619.35090293
CAS RN 138605-81-9
C_ID C00023578 ,
InChIKey GIHSQRKLXKCZNX-NTEKUYLNNA-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 CC(C)(O)[C@H]1O[C@H]2CC[C@@]3(C)[C@@](O)(CC[C@H]4Cc5c([nH]c6ccc7c(c56)C[C@@H]5[C@@H](C7=O)C(C)(C)OC5(C)C)[C@@]43C)[C@]23O[C@@H]3[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiClavicipitaceaeEpichloe festucae Fg1 Ref.
FungiClavicipitaceaeEpichloe festucae Fl1 Ref.
PlantaePoaceaeLolium perenne L. Ref.
--Neotyphodium coenophialum e822 Ref.
--Neotyphodium coenophialum Tf28 Ref.
--Neotyphodium festucae Frc7 Ref.
--Neotyphodium funkii e4096 Ref.
--Neotyphodium lolii AR1 Ref.
--Neotyphodium lolii Lp14 Ref.
--Neotyphodium lolii Lp19 Ref.
--Neotyphodium siegelii e915 Ref.
--Neotyphodium tembladerae e1169 Ref.
--Neotyphodium tembladerae e4055 Ref.
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