input word = C00002257

Metabolite InformationStructural formula
Name Protoveratrine B
Formula C41H63NO15
Mw 809.41977035
CAS RN 124-97-0
C_ID C00002257 ,
InChIKey BFLXOMFFVWQPAZ-PFWYRFNUNA-N
InChICode InChI=1S/C41H63NO15/c1-10-19(3)34(47)56-33-28(46)27-23(17-42-16-18(2)11-12-25(42)38(27,9)50)24-15-39-32(40(24,33)51)30(54-22(6)45)29(53-21(5)44)31-36(39,7)14-13-26(41(31,52)57-39)55-35(48)37(8,49)20(4)43/h18-20,23-33,43,46,49-52H,10-17H2,1-9H3/t18-,19+,20+,23-,24-,25-,26-,27+,28+,29-,30+,31-,32+,33-,36-,37-,38+,39+,40-,41+/m0/s1
SMILES C1[C@@H]([C@@]2([C@@H]3[C@](C1)([C@@]1([C@@H]([C@@H]([C@@H]3OC(=O)C)OC(=O)C)[C@]3([C@@H](C1)[C@H]1[C@H]([C@H]([C@@H]3OC(=O)[C@@H](CC)C)O)[C@]([C@H]3N(C1)C[C@H](CC3)C)(C)O)O)O2)C)O)OC(=O)[C@]([C@H](O)C)(O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Cholesterol
Organism
Kingdom Family Species Reference
PlantaeMelanthiaceaeVeratrum album Ref.
PlantaeMelanthiaceaeVeratrum nigrum Ref.
PlantaeMelanthiaceaeVeratrum viride Ref.
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