input word = C00039240

Metabolite InformationStructural formula
Name Gagunin M
(+)-Gagunin M
Formula C35H56O9
Mw 620.39243339
CAS RN 1064680-58-5
C_ID C00039240 ,
InChIKey JCOUIOWVKORDDJ-KCBHWEHINA-N
InChICode InChI=1S/C35H56O9/c1-11-14-26(37)42-24-17-35(10)25(43-33(40)20(6)13-3)18-34(9)23(29(35)28(24)19(4)5)16-21(7)30(39)31(41-22(8)36)32(34)44-27(38)15-12-2/h16,19-20,23-25,28-32,39H,11-15,17-18H2,1-10H3/t20-,23-,24-,25-,28-,29+,30-,31-,32+,34+,35-/m0/s1
SMILES [C@@H]12[C@@](C[C@@H]([C@]3([C@H]1[C@H]([C@H](C3)OC(=O)CCC)C(C)C)C)OC(=O)[C@@H](C)CC)([C@@H]([C@H]([C@H](C(=C2)C)O)OC(=O)C)OC(=O)CCC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Phorbas sp. Ref.
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OrganismPhorbas sp.
ReferenceJang,J.Nat.Prod.,71,(2008),1701