input word =
C00051947
Metabolite Information
Structural formula
Name
Lolitrem K
Formula
C37H47NO6
Mw
601.34033824
CAS RN
C_ID
C00051947
InChIKey
InChICode
InChI=1S/C37H47NO6/c1-17(2)29-28(40)31-37(43-31)24(42-29)12-13-34(7)35(8)18(11-14-36(34,37)41)15-21-25-20-16-22-26(33(5,6)44-32(22,3)4)27(39)19(20)9-10-23(25)38-30(21)35/h9-10,18,22,24,26,28,31,38,40-41H,11-16H2,1-8H3/t18-,22+,24-,26-,28+,31?,34+,35+,36-,37-/m0/s1
SMILES
CC(C)=C1O[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@]23OC3[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom
Family
Species
Reference
Fungi
Clavicipitaceae
Epichloe festucae Fg1
Ref.
Fungi
Clavicipitaceae
Epichloe festucae Fl1
Ref.
-
-
Neotyphodium lolii Lp19
Ref.
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