input word = C00034899

Metabolite InformationStructural formula
Name Swietephragmin C
Formula C37H46O12
Mw 682.29892693
CAS RN 878786-92-6
C_ID C00034899 ,
InChIKey SPKRHHRYAOXOEE-JCNXTFIUNA-N
InChICode InChI=1S/C37H46O12/c1-9-19(3)27(40)46-28-31(6)18-33(41)32(7,22(31)15-24(38)43-8)34-13-12-30(5)23(16-25(39)45-26(30)21-11-14-44-17-21)36(34)29(35(28,33)42)47-37(48-34,49-36)20(4)10-2/h9,11,14,16-17,20,22,26,28-29,41-42H,10,12-13,15,18H2,1-8H3/b19-9+/t20-,22-,26-,28-,29+,30+,31+,32+,33+,34-,35-,36+,37-/m0/s1
SMILES [C@]12(C(=CC(=O)O[C@H]1c1cocc1)[C@]13[C@]4(CC2)[C@]2([C@]5([C@@]([C@H]1O[C@@](O4)(O3)[C@@H](C)CC)([C@H]([C@@]([C@@H]2CC(=O)OC)(C5)C)OC(=O)/C(=C/C)/C)O)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeSwietenia mahogani Ref.
PlantaeMeliaceaeSwietenia mahogany Ref.
zoom in