input word = C00039237

Metabolite InformationStructural formula
Name Gagunin J
(+)-Gagunin J
Formula C37H58O11
Mw 678.3979127
CAS RN 1064680-52-9
C_ID C00039237 ,
InChIKey ACETYDTUPLBCGS-JMZNUKMQNA-N
InChICode InChI=1S/C37H58O11/c1-11-15-26(40)45-24-19-36(9)23(18-21(7)31(43)33(44-22(8)38)34(36)48-28(42)17-13-3)30-29(20(5)6)32(46-27(41)16-12-2)35(37(24,30)10)47-25(39)14-4/h18,20,23-24,29-35,43H,11-17,19H2,1-10H3/t23-,24-,29+,30+,31-,32+,33-,34+,35-,36+,37-/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(=O)CCC)[C@]3(C)C[C@H](OC(=O)CCC)[C@]2(C)[C@H]1OC(=O)CC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Phorbas sp. Ref.
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