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/C=C(C)C(=O)O[C@@H]1[C@@H]2C=C3[C@@H]4CC(=O)O[C@@H](C5=CC(O)OC5=O)[C@]4(C)CC[C@@H]3[C@@](C)(C2=O)[C@@H](CC(=O)OC)C1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeXylocarpus granatum Ref.
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