input word = C00023579

Metabolite InformationStructural formula
Name Paspaline
Formula C28H39NO2
Mw 421.2980795
CAS RN 11024-56-9
C_ID C00023579 ,
InChIKey WLAIEIMDXUAGPY-QMMUNOQGNA-N
InChICode InChI=1S/C28H39NO2/c1-25(2,30)22-12-14-26(3)21-11-10-17-16-19-18-8-6-7-9-20(18)29-24(19)28(17,5)27(21,4)15-13-23(26)31-22/h6-9,17,21-23,29-30H,10-16H2,1-5H3/t17-,21-,22-,23-,26-,27-,28+/m0/s1
SMILES c1ccc2c(c1)[nH]c1c2C[C@H]2[C@]1([C@@]1([C@@H](CC2)[C@]2([C@H](CC1)O[C@@H](CC2)C(C)(C)O)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiClavicipitaceaeClaviceps paspali Ref.
FungiClavicipitaceaeEpichloe festucae Fg1 Ref.
FungiClavicipitaceaeEpichloe festucae Fl1 Ref.
FungiTrichocomaceaeAspergillus flavus Ref.
FungiTrichocomaceaeAspergillus oryzae Ref.
FungiTrichocomaceaePenicillium janthinellum Ref.
FungiTrichocomaceaePenicillium paxilli Ref.
--Chaunopycnis alba Ref.
--Epicholoe festucae Ref.
--Neotyphodium coenophialum e822 Ref.
--Neotyphodium coenophialum Tf28 Ref.
--Neotyphodium festucae Frc7 Ref.
--Neotyphodium funkii e4096 Ref.
--Neotyphodium lolii 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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