input word = C00030337

Metabolite InformationStructural formula
Name Gagunin D
Formula C34H54O9
Mw 606.37678332
CAS RN 495413-91-7
C_ID C00030337 ,
InChIKey YEPVPAZPYFWXRV-XOUQTEMVNA-N
InChICode InChI=1S/C34H54O9/c1-10-13-25(36)41-23-17-34(9)24(42-26(37)14-11-2)18-33(8)22(29(34)28(23)19(4)5)16-20(6)30(39)31(40-21(7)35)32(33)43-27(38)15-12-3/h16,19,22-24,28-32,39H,10-15,17-18H2,1-9H3/t22-,23-,24-,28-,29+,30-,31-,32+,33+,34-/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](C1)OC(=O)CCC)C(C)C)C)OC(=O)CCC)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Phorbas gukulensis Ref.
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