input word = C00047876

Metabolite InformationStructural formula
Name Febrifugin A
Formula C32H40O10
Mw 584.2621475
CAS RN 865443-47-6
C_ID C00047876 ,
InChIKey SRKFIGKYKHKVIX-BOLBFTMJNA-N
InChICode InChI=1S/C32H40O10/c1-8-15(2)28(37)42-26-17-11-16-19(32(6,25(17)36)21(30(26,3)4)14-22(33)39-7)9-10-31(5)20(16)13-24(35)40-27(31)18-12-23(34)41-29(18)38/h8,11-12,17,19-21,23,26-27,34H,9-10,13-14H2,1-7H3/b15-8+/t17-,19+,20+,21+,23+,26-,27+,31-,32-/m1/s1
SMILES [C@@H]1(C([C@@H]([C@]2([C@@H]3C(=C[C@@H]1C2=O)[C@H]1[C@@](CC3)([C@@H](OC(=O)C1)C1=C[C@H](OC1=O)O)C)C)CC(=O)OC)(C)C)OC(=O)/C(=C/C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeXylocarpus granatum Ref.
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OrganismXylocarpus granatum
ReferenceLi,J.Nat.Prod.,72,(2009),2110