input word = C00039241

Metabolite InformationStructural formula
Name Gagunin N
(+)-Gagunin N
Formula C32H50O9
Mw 578.3454832
CAS RN 1064680-60-9
C_ID C00039241 ,
InChIKey PZBZPMVERFDPDD-AENWMRRKNA-N
InChICode InChI=1S/C32H50O9/c1-10-12-24(35)40-22-15-32(9)23(38-19(6)33)16-31(8)21(27(32)26(22)17(3)4)14-18(5)29(39-20(7)34)28(37)30(31)41-25(36)13-11-2/h14,17,21-23,26-30,37H,10-13,15-16H2,1-9H3/t21-,22-,23-,26-,27+,28-,29-,30+,31+,32-/m0/s1
SMILES CCCC(=O)O[C@H]1C[C@]2(C)[C@H]([C@H]1C(C)C)[C@H]1C=C(C)[C@H](OC(C)=O)[C@H](O)[C@@H](OC(=O)CCC)[C@]1(C)C[C@@H]2OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Phorbas sp. Ref.
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