input word = C00031851

Metabolite InformationStructural formula
Name Hemsleyatine
Formula C25H42N2O7
Mw 482.29920171
CAS RN 618456-73-8
C_ID C00031851 ,
InChIKey ZWUFSCXXMINYCW-UHFFFAOYNA-N
InChICode InChI=1S/C25H42N2O7/c1-6-27-10-22(11-31-2)13(28)7-14(32-3)25-12-8-24(30)15(33-4)9-23(26,16(12)21(24)29)17(20(25)27)18(34-5)19(22)25/h12-21,28-30H,6-11,26H2,1-5H3/t12-,13+,14-,15-,16-,17-,18-,19+,20+,21+,22-,23-,24+,25-/m1/s1
SMILES N1(CC)[C@H]2[C@H]3[C@H]([C@@H]4[C@@]2([C@@H]2C[C@@]5([C@@H](C[C@]3([C@H]2[C@@H]5O)N)OC)O)[C@@H](C[C@@H]([C@@]4(C1)COC)O)OC)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum hemsleyanum PRITZ Ref.
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