input word = C00039226

Metabolite InformationStructural formula
Name Frajunolide J
(-)-Frajunolide J
Formula C29H40O11
Mw 564.25706212
CAS RN 1058643-49-4
C_ID C00039226 ,
InChIKey WCWDRUMWAKDDMS-IQZOLFMANA-N
InChICode InChI=1S/C29H40O11/c1-9-24(33)39-20-13-22(37-18(6)31)28(8)21(36-17(5)30)11-10-14(2)12-23-29(35,16(4)27(34)40-23)26(38-19(7)32)25(28)15(20)3/h12,16,20-23,25-26,35H,3,9-11,13H2,1-2,4-8H3/b14-12-/t16-,20+,21-,22-,23-,25+,26-,28-,29+/m0/s1
SMILES C\1=C(\CC[C@@H]([C@@]2([C@@H]([C@@H]([C@@]3([C@H]1OC(=O)[C@@H]3C)O)OC(=O)C)C(=C)[C@@H](C[C@@H]2OC(=O)C)OC(=O)CC)C)OC(=O)C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Junceella fragilis Ref.
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