input word = C00048166

Metabolite InformationStructural formula
Name Swietenitin D
(-)-Swietenitin D
Formula C39H48O16
Mw 772.29423549
CAS RN 1173892-06-2
C_ID C00048166 ,
InChIKey PSIAPSWMYWLEHN-KYIFMMDANA-N
InChICode InChI=1S/C39H48O16/c1-9-24(41)50-29-38(45)28(51-30(44)33(6)19(2)52-33)32(5)17-37(38)35(18-48-26(43)14-22(32)35)36-12-11-31(4,27(49-20(3)40)21-10-13-47-16-21)23(15-25(42)46-8)39(29,36)55-34(7,53-36)54-37/h10,13,16,19,22-23,27-29,45H,9,11-12,14-15,17-18H2,1-8H3/t19-,22+,23-,27+,28+,29-,31-,32-,33+,34-,35+,36+,37-,38+,39-/m1/s1
SMILES CCC(=O)O[C@@H]1[C@@]2(O)[C@@H](OC(=O)[C@@]3(C)O[C@@H]3C)[C@]3(C)C[C@]24O[C@]2(C)O[C@]15[C@H](CC(=O)OC)[C@](C)([C@@H](OC(C)=O)c1ccoc1)CC[C@]5(O2)[C@@]41COC(=O)C[C@@H]31
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeSwietenia macrophylla Ref.
zoom in



OrganismSwietenia macrophylla
ReferenceLin,J.Nat.Prod.,72,(2009),1305