input word = C00025504

Metabolite InformationStructural formula
Name Holantosine E
Formula C28H47NO6
Mw 493.34033824
CAS RN 40738-39-4
C_ID C00025504 ,
InChIKey XPLAXRSHXHPUNS-DZDQARLZNA-N
InChICode InChI=1S/C28H47NO6/c1-16-24(29)21(32-4)14-23(34-16)35-18-7-10-25(2)17(13-18)5-6-20-19(25)8-11-27-15-33-26(3,30)22(27)9-12-28(20,27)31/h16-24,30-31H,5-15,29H2,1-4H3/t16-,17+,18+,19+,20+,21+,22-,23+,24-,25-,26-,27+,28+/m1/s1
SMILES [C@@]12(O)[C@H]3CC[C@H]4C[C@H](CC[C@]4([C@H]3CC[C@@]31[C@H](CC2)[C@](OC3)(C)O)C)O[C@H]1C[C@@H]([C@@H]([C@H](O1)C)N)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Cholesterol
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeHolarrhena antidysenterica Ref.
zoom in