input word = C00029255

Metabolite InformationStructural formula
Name Yunaconitine
Formula C35H49NO11
Mw 659.33056142
CAS RN 70578-24-4
C_ID C00029255 ,
InChIKey LLEMSCWAKNQHHA-UHFFFAOYNA-N
InChICode InChI=1S/C35H49NO11/c1-8-36-16-32(17-41-3)22(38)13-23(43-5)35-21-14-33(40)24(44-6)15-34(47-18(2)37,26(29(35)36)27(45-7)28(32)35)25(21)30(33)46-31(39)19-9-11-20(42-4)12-10-19/h9-12,21-30,38,40H,8,13-17H2,1-7H3/t21-,22-,23-,24+,25-,26+,27+,28-,29-,30+,32+,33+,34-,35+/m1/s1
SMILES N1(CC)C[C@]2([C@@H]3[C@@]4([C@H]1[C@H]([C@@H]3OC)[C@@]1([C@@H]3[C@H]4C[C@]([C@H](C1)OC)([C@H]3OC(=O)c1ccc(cc1)OC)O)OC(=O)C)[C@@H](C[C@H]2O)OC)COC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum bulleyanum Ref.
PlantaeRanunculaceaeAconitum forrestii Ref.
PlantaeRanunculaceaeAconitum geniculatum Ref.
PlantaeRanunculaceaeAconitum hemsleyanum PRITZ Ref.
PlantaeRanunculaceaeAconitum hemsleyanum var. circinatum Ref.
PlantaeRanunculaceaeAconitum kusnezoffii Ref.
PlantaeRanunculaceaeAconitum nagarum var.heterotrichum Ref.
PlantaeRanunculaceaeAconitum piepunense Ref.
PlantaeRanunculaceaeAconitum pseudostapfinum W.T.Wang Ref.
PlantaeRanunculaceaeAconitum sinomontanum Ref.
PlantaeRanunculaceaeAconitum sungpanense Ref.
PlantaeRanunculaceaeAconitum vilmorinianum Kom Ref.
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