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 CCCC(=O)O[C@@H]1[C@H](C(C)C)[C@@H]2[C@H]3C=C(C)[C@H](O)[C@H](OC(=O)CC)[C@@H](OC(=O)CCC)[C@]3(C)C[C@H](OC(=O)CCC)[C@]2(C)[C@H]1OC(=O)CCC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Phorbas sp. Ref.
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