input word = C00027743

Metabolite InformationStructural formula
Name Deoxyaconitine
3-Deoxyaconitine
Formula C34H47NO10
Mw 629.31999673
CAS RN 3175-95-9
C_ID C00027743 ,
InChIKey PHASMOUKYDUAOZ-PSOZKWFMNA-N
InChICode InChI=1S/C34H47NO10/c1-7-35-16-31(17-40-3)14-13-21(41-4)33-20-15-32(39)28(44-30(38)19-11-9-8-10-12-19)22(20)34(45-18(2)36,27(37)29(32)43-6)23(26(33)35)24(42-5)25(31)33/h8-12,20-29,37,39H,7,13-17H2,1-6H3/t20-,21+,22-,23-,24-,25?,26+,27+,28-,29+,31+,32-,33-,34+/m1/s1
SMILES N1(CC)C[C@@]2(CC[C@@H]([C@@]34[C@@H]1[C@@H]([C@H]([C@H]23)OC)[C@]1([C@@H]2[C@H]4C[C@]([C@H]([C@@H]1O)OC)([C@@H]2OC(=O)c1ccccc1)O)OC(=O)C)OC)COC
Start Substs in Alk. Biosynthesis (Prediction) Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum japonicum Ref.
PlantaeRanunculaceaeAconitum karakolicum Rap. Ref.
PlantaeRanunculaceaeAconitum kusnezoffii Reichb. Ref.
PlantaeRanunculaceaeAconitum nagarum var.heterotrichum Ref.
PlantaeRanunculaceaeAconitum pseudostapfinum W.T.Wang Ref.
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OrganismAconitum kusnezoffii Reichb.
ReferenceZhengbang,Nat.Prod.Res.Dev.,9,(1997),9