input word = C00046744

Metabolite InformationStructural formula
Name Fusapyrone
Formula C34H54O9
Mw 606.37678332
CAS RN 156856-31-4
C_ID C00046744 ,
InChIKey VMIZPSIJERGBNI-LUOKHNIVNA-N
InChICode InChI=1S/C34H54O9/c1-7-8-9-10-11-21(2)14-23(4)16-24(19-35)15-22(3)12-13-28(39)34(5,6)29-18-26(37)30(33(41)43-29)32-31(40)27(38)17-25(20-36)42-32/h12-13,15-16,18,21,24-25,27-28,31-32,35-36,38-41H,7-11,14,17,19-20H2,1-6H3/b13-12+,22-15+,23-16-/t21-,24-,25-,27-,28+,31-,32-/m1/s1
SMILES C1[C@H]([C@H]([C@H](O[C@H]1CO)c1c(=O)cc(oc1O)C([C@H](/C=C/C(=C/[C@H](/C=C(/C)\C[C@H](C)CCCCCC)CO)/C)O)(C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiNectriaceaeFusarium semitectum Ref.
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