input word = C00039504

Metabolite InformationStructural formula
Name Junceellolide E
Formula C27H38O9
Mw 506.25158281
CAS RN 303963-51-1
C_ID C00039504 ,
InChIKey UTRRVFIPDVKXOZ-WPIJHAIINA-N
InChICode InChI=1S/C27H38O9/c1-8-22(30)35-20-11-9-14(2)13-21-27(32,16(4)25(31)36-21)24(34-18(6)29)23-15(3)10-12-19(26(20,23)7)33-17(5)28/h13,16,19-21,23-24,32H,3,8-12H2,1-2,4-7H3/b14-13-/t16-,19-,20-,21-,23+,24+,26+,27-/m0/s1
SMILES C1CC(=C)[C@H]2[C@]([C@H]1OC(=O)C)([C@H](CC/C(=C\[C@H]1[C@@]([C@@H]2OC(=O)C)(O)[C@H](C(=O)O1)C)/C)OC(=O)CC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Junceella fragilis Ref.
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