input word = C00039243

Metabolite InformationStructural formula
Name Gagunin P
(+)-Gagunin P
Formula C36H56O11
Mw 664.38226263
CAS RN 1064680-66-5
C_ID C00039243 ,
InChIKey DZNCDWMYHUXBQE-AJNOAUNRNA-N
InChICode InChI=1S/C36H56O11/c1-11-14-25(39)45-24-18-35(9)23(17-20(6)30(42)32(43-21(7)37)33(35)44-22(8)38)29-28(19(4)5)31(46-26(40)15-12-2)34(36(24,29)10)47-27(41)16-13-3/h17,19,23-24,28-34,42H,11-16,18H2,1-10H3/t23-,24-,28+,29+,30-,31+,32-,33+,34-,35+,36-/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(C)=O)[C@@H](OC(C)=O)[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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