input word = C00039222

Metabolite InformationStructural formula
Name Frajunolide F
(-)-Frajunolide F
Formula C28H35ClO12
Mw 598.18170429
CAS RN 1058643-44-9
C_ID C00039222 ,
InChIKey TVGNEOWHUDAQPB-QGILJHDQNA-N
InChICode InChI=1S/C28H35ClO12/c1-11-9-18(36-14(4)30)22(38-16(6)32)26(8)19(37-15(5)31)10-27(35)12(2)21(29)24-28(41-27,13(3)25(34)40-24)23(20(11)26)39-17(7)33/h13,18-24,35H,1-2,9-10H2,3-8H3/t13-,18-,19-,20+,21-,22-,23-,24-,26+,27-,28-/m0/s1
SMILES [C@@H]1(C(=C)[C@@]2(C[C@@H]([C@@]3([C@@H]([C@@H]([C@@]4([C@H]1OC(=O)[C@@H]4C)O2)OC(=O)C)C(=C)C[C@@H]([C@@H]3OC(=O)C)OC(=O)C)C)OC(=O)C)O)Cl
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