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 C=C1CC[C@H](OC(C)=O)[C@]2(C)[C@@H](OC(=O)CC)CC/C(C)=C[C@@H]3OC(=O)[C@H](C)C3(O)[C@H](OC(C)=O)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Junceella fragilis Ref.
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OrganismJunceella fragilis
ReferenceLiaw,J.Nat.Prod.,71,(2008),1551