input word = C00039225

Metabolite InformationStructural formula
Name Frajunolide I
(-)-Frajunolide I
Formula C28H35ClO12
Mw 598.18170429
CAS RN 1058643-48-3
C_ID C00039225 ,
InChIKey YMCOBUVXHZEMRB-MJANLPCCNA-N
InChICode InChI=1S/C28H35ClO12/c1-12-8-9-19(38-15(4)31)26(7)21(27(11-36-27)10-18(37-14(3)30)22(26)39-16(5)32)24(40-17(6)33)28(35)13(2)25(34)41-23(28)20(12)29/h8-9,13,18-24,35H,1,10-11H2,2-7H3/b9-8+/t13-,18-,19-,20-,21+,22-,23-,24-,26+,27-,28+/m0/s1
SMILES [C@@H]1(C(=C)/C=C/[C@@H]([C@@]2([C@@H]([C@@H]([C@@]3([C@H]1OC(=O)[C@@H]3C)O)OC(=O)C)[C@]1(C[C@@H]([C@@H]2OC(=O)C)OC(=O)C)CO1)C)OC(=O)C)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