input word = C00027804

Metabolite InformationStructural formula
Name Aconosine
Formula C22H35NO4
Mw 377.25660861
CAS RN 38839-95-1
C_ID C00027804 ,
InChIKey VCOQRRVEIUTMFC-UHFFFAOYNA-N
InChICode InChI=1S/C22H35NO4/c1-4-23-10-11-5-6-17(27-3)22-13(11)8-15(20(22)23)21(25)9-16(26-2)12-7-14(22)18(21)19(12)24/h11-20,24-25H,4-10H2,1-3H3/t11-,12-,13+,14-,15-,16+,17-,18-,19-,20+,21+,22-/m1/s1
SMILES N1(CC)C[C@H]2CC[C@H]([C@@]34[C@@H]1[C@@H](C[C@@H]23)[C@@]1([C@@H]2[C@H]4C[C@H]([C@H](C1)OC)[C@H]2O)O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum monticola Steinb. Ref.
PlantaeRanunculaceaeAconitum nasutum Fisch.et Rehd. Ref.
PlantaeRanunculaceaeAconitum piepunense Ref.
PlantaeRanunculaceaeAconitum pseudostapfinum W.T.Wang Ref.
PlantaeRanunculaceaeAconitum toxicum Ref.
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OrganismAconitum pseudostapfinum W.T.Wang
ReferenceYing,Zhongcaoyao,27,(1996),5