input word = C00030336

Metabolite InformationStructural formula
Name Gagunin C
Formula C36H56O11
Mw 664.38226263
CAS RN 495413-90-6
C_ID C00030336 ,
InChIKey XOFKOOWATCLMSC-SZVRKTIFNA-N
InChICode InChI=1S/C36H56O11/c1-12-14-25(39)45-24-17-35(10)23(16-20(7)29(41)31(43-21(8)37)32(35)46-26(40)15-13-2)28-27(18(3)4)30(47-34(42)19(5)6)33(36(24,28)11)44-22(9)38/h16,18-19,23-24,27-33,41H,12-15,17H2,1-11H3/t23-,24-,27+,28+,29-,30+,31-,32+,33-,35+,36-/m0/s1
SMILES C1(=C[C@@H]2[C@]([C@@H]([C@H]([C@H]1O)OC(=O)C)OC(=O)CCC)(C[C@@H]([C@]1([C@H]2[C@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C(C)C)C(C)C)C)OC(=O)CCC)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Phorbas gukulensis Ref.
--Phorbas sp. Ref.
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