input word = C00044870

Metabolite InformationStructural formula
Name Leueantine D
(+)-Leueantine D
Formula C33H45NO7
Mw 567.3196028
CAS RN 499969-78-7
C_ID C00044870 ,
InChIKey KGCMWLBLWOQEPL-VAWYXSNFNA-N
InChICode InChI=1S/C33H45NO7/c1-5-34-17-31(18-38-2)14-13-23(40-4)33-21-15-20-22(39-3)16-32(37,26(30(33)34)27(36)29(31)33)25(21)28(20)41-24(35)12-11-19-9-7-6-8-10-19/h6-12,20-23,25-30,36-37H,5,13-18H2,1-4H3/b12-11+/t20-,21-,22+,23+,25-,26-,27-,28-,29+,30+,31-,32-,33-/m1/s1
SMILES C1C[C@]2([C@H]3[C@]4([C@H]1OC)[C@H]1[C@H]5[C@](C[C@@H]([C@H]([C@H]5OC(=O)/C=C/c5ccccc5)C1)OC)([C@H]([C@H]3O)[C@@H]4N(CC)C2)O)COC
Start Substs in Alk. Biosynthesis (Prediction) Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum hemsleyanum var.leucanthus Ref.
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OrganismAconitum hemsleyanum var.leucanthus
ReferenceLi,J.Nat.Prod.,66,(2003),269