input word = C00039242

Metabolite InformationStructural formula
Name Gagunin O
(+)-Gagunin O
Formula C38H60O11
Mw 692.41356276
CAS RN 1064680-62-1
C_ID C00039242 ,
InChIKey MIKVSZXTTYIXJT-ULSOVQFRNA-N
InChICode InChI=1S/C38H60O11/c1-11-15-26(40)46-25-20-37(9)24(19-22(7)33(45-23(8)39)32(44)35(37)48-28(42)17-13-3)31-30(21(5)6)34(47-27(41)16-12-2)36(38(25,31)10)49-29(43)18-14-4/h19,21,24-25,30-36,44H,11-18,20H2,1-10H3/t24-,25-,30+,31+,32-,33-,34+,35+,36-,37+,38-/m0/s1
SMILES CCCC(=O)O[C@@H]1[C@H](C(C)C)[C@@H]2[C@H]3C=C(C)[C@H](OC(C)=O)[C@H](O)[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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