input word = C00039235

Metabolite InformationStructural formula
Name Gagunin H
(+)-Gagunin H
Formula C37H58O11
Mw 678.3979127
CAS RN 1064680-48-3
C_ID C00039235 ,
InChIKey KIYAOSXQIPPTIE-JMZNUKMQNA-N
InChICode InChI=1S/C37H58O11/c1-11-15-26(40)46-32-29(20(5)6)30-23-18-21(7)31(43)33(44-22(8)38)34(47-27(41)16-12-2)36(23,9)19-24(45-25(39)14-4)37(30,10)35(32)48-28(42)17-13-3/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 [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)CC)([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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