input word = C00035726

Metabolite InformationStructural formula
Name Pentagyline
Formula C30H41NO7
Mw 527.28830267
CAS RN 89384-05-4
C_ID C00035726 ,
InChIKey RXLFWLFVXXOHFE-UHFFFAOYNA-N
InChICode InChI=1S/C30H41NO7/c1-5-31-15-27(2)12-11-19(32)30-23(27)22(37-4)20(25(30)31)28(34)14-18(36-3)17-13-29(30,35)24(28)21(17)38-26(33)16-9-7-6-8-10-16/h6-10,17-25,32,34-35H,5,11-15H2,1-4H3/t17-,18-,19-,20+,21-,22+,23-,24-,25-,27+,28+,29+,30-/m1/s1
SMILES [C@@H]12C[C@]3([C@@]45[C@H]6[C@H]([C@@H]([C@@H]4[C@](CN6CC)(CC[C@H]5O)C)OC)[C@@]([C@H]3[C@@H]2OC(=O)c2ccccc2)(O)C[C@H]1OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeDelphinium pentagynum Ref.
zoom in