input word = C00039221

Metabolite InformationStructural formula
Name Frajunolide E
(-)-Frajunolide E
Formula C28H38O11
Mw 550.24141206
CAS RN 1058643-40-5
C_ID C00039221 ,
InChIKey SHBNTXRJWGWSCS-DRXQJTSKNA-N
InChICode InChI=1S/C28H38O11/c1-13-9-10-21(36-17(5)30)27(8)23(14(2)12-20(35-16(4)29)24(27)37-18(6)31)25(38-19(7)32)28(34)15(3)26(33)39-22(28)11-13/h11,15,20-25,34H,2,9-10,12H2,1,3-8H3/b13-11-/t15-,20-,21-,22-,23+,24-,25-,27+,28+/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[C@@H]([C@@H]2OC(=O)C)OC(=O)C)C)OC(=O)C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Junceella fragilis Ref.
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