input word = C00011879

Metabolite InformationStructural formula
Name Fluctuadin
Formula C22H26O9
Mw 434.15768243
CAS RN 38096-48-9
C_ID C00011879 ,
InChIKey LJKGHMJIYVXYAL-LFGRXHGLNA-N
InChICode InChI=1S/C22H26O9/c1-10(2)19(24)29-16-14-11(3)20(25)30-17(14)18-22(5,31-18)9-7-8-13(21(26)27-6)15(16)28-12(4)23/h8,14-18H,1,3,7,9H2,2,4-6H3/b13-8+/t14-,15+,16+,17+,18+,22-/m1/s1
SMILES [C@@H]12[C@H]3[C@@](CC/C=C(/[C@@H]([C@H]([C@H]1C(=C)C(=O)O2)OC(=O)C(=C)C)OC(=O)C)\C(=O)OC)(O3)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaMustelidaeEnhydra fluctuans Ref.
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