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
CCN1C[C@@]2(COC(=O)c3ccccc3N3C(=O)CCC3=O)CC[C@H](OC)[C@]34C1[C@](O)([C@@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC
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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