input word = C00039234

Metabolite InformationStructural formula
Name Gagunin G
(+)-Gagunin G
Formula C32H50O9
Mw 578.3454832
CAS RN 495413-94-0
C_ID C00039234 ,
InChIKey BNFUNWYCZCZCDU-AENWMRRKNA-N
InChICode InChI=1S/C32H50O9/c1-10-12-24(35)40-23-16-31(8)21(27-26(17(3)4)22(38-19(6)33)15-32(23,27)9)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 [C@@H]12[C@@](C[C@@H]([C@]3([C@H]1[C@H]([C@H](C3)OC(=O)C)C(C)C)C)OC(=O)CCC)([C@@H]([C@H]([C@H](C(=C2)C)OC(=O)C)O)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