input word = C00039244

Metabolite InformationStructural formula
Name Gagunin Q
(+)-Gagunin Q
Formula C39H62O11
Mw 706.42921282
CAS RN 1064680-68-7
C_ID C00039244 ,
InChIKey SZVUOCJFUXHIPT-GZEBQTELNA-N
InChICode InChI=1S/C39H62O11/c1-11-16-27(41)46-25-21-38(9)24(20-23(8)33(45)35(47-26(40)15-5)36(38)49-29(43)18-13-3)32-31(22(6)7)34(48-28(42)17-12-2)37(39(25,32)10)50-30(44)19-14-4/h20,22,24-25,31-37,45H,11-19,21H2,1-10H3/t24-,25-,31+,32+,33-,34+,35-,36+,37-,38+,39-/m0/s1
SMILES [C@@H]12[C@@](C[C@@H]([C@]3([C@H]1[C@H]([C@H]([C@@H]3OC(=O)CCC)OC(=O)CCC)C(C)C)C)OC(=O)CCC)([C@@H]([C@H]([C@H](C(=C2)C)O)OC(=O)CC)OC(=O)CCC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Phorbas sp. Ref.
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