input word = C00048170

Metabolite InformationStructural formula
Name Swietenitin H
Formula C44H56O18
Mw 872.34666499
CAS RN 1173892-10-8
C_ID C00048170 ,
InChIKey CSEGILGYHYMKDO-LPYMAVHINA-N
InChICode InChI=1S/C44H56O18/c1-13-22(3)34(51)58-35-38(8)21-41-39(9,27(38)17-31(49)52-11)44-29(55-23(4)45)19-37(7,33(56-24(5)46)26-15-16-54-20-26)28(18-32(50)53-12)42(44,61-40(10,60-41)62-44)36(57-30(48)14-2)43(35,41)59-25(6)47/h13,15-16,20,27-29,33,35-36H,14,17-19,21H2,1-12H3/b22-13+/t27-,28-,29+,33-,35-,36+,37-,38+,39+,40-,41-,42-,43-,44+/m1/s1
SMILES [C@H]1([C@@]23[C@@]4([C@@H]([C@@](C1)([C@H](OC(=O)C)c1ccoc1)C)CC(=O)OC)[C@@H]([C@]1([C@@]5([C@@]2([C@@H]([C@@]([C@H]1OC(=O)/C(=C/C)/C)(C5)C)CC(=O)OC)C)O[C@](O4)(O3)C)OC(=O)C)OC(=O)CC)OC(=O)C
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