input word = C00039236

Metabolite InformationStructural formula
Name Gagunin I
(+)-Gagunin I
Formula C36H56O11
Mw 664.38226263
CAS RN 1064680-50-7
C_ID C00039236 ,
InChIKey VPZWHHFNDPXINY-AJNOAUNRNA-N
InChICode InChI=1S/C36H56O11/c1-11-14-25(39)45-31-28(19(4)5)29-23-17-20(6)30(42)32(44-22(8)38)33(46-26(40)15-12-2)35(23,9)18-24(43-21(7)37)36(29,10)34(31)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 [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)C)([C@@H]([C@H]([C@H](C(=C2)C)O)OC(=O)C)OC(=O)CCC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Phorbas sp. Ref.
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OrganismPhorbas sp.
ReferenceJang,J.Nat.Prod.,71,(2008),1701