input word =
C00001652
Metabolite Information
Structural formula
Name
Lycaconitine
Formula
C36H48N2O10
Mw
668.33089577
CAS RN
25867-19-0
C_ID
C00001652 ,
InChIKey
KFXVNXQXPRPLQA-VOUSOKOLNA-N
InChICode
InChI=1S/C36H48N2O10/c1-6-37-17-33(18-48-31(41)19-9-7-8-10-22(19)38-25(39)11-12-26(38)40)14-13-24(45-3)35-21-15-20-23(44-2)16-34(42,27(21)28(20)46-4)36(43,32(35)37)30(47-5)29(33)35/h7-10,20-21,23-24,27-30,32,42-43H,6,11-18H2,1-5H3/t20-,21-,23+,24+,27-,28+,29-,30+,32+,33+,34-,35+,36-/m1/s1
SMILES
C([C@]12[C@@H]3[C@@]4([C@H](CC1)OC)[C@H]1[C@H]5[C@@]([C@@]([C@H]3OC)([C@H]4N(C2)CC)O)(C[C@@H]([C@H]([C@@H]5OC)C1)OC)O)OC(=O)c1c(cccc1)N1C(=O)CCC1=O
Start Substs in Alk. Biosynthesis (Prediction)
L-Trp
Secologanin
Organism
Kingdom
Family
Species
Reference
Plantae
Ranunculaceae
Aconitum barbatum var.puberulum
Ref.
Plantae
Ranunculaceae
Aconitum lycoctonum
Ref.
Plantae
Ranunculaceae
Delphinium cashmerianum
Ref.
Plantae
Ranunculaceae
Delphinium cashmirianum
Ref.
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