input word = C00027803

Metabolite InformationStructural formula
Name Aconasutine
Formula C24H37NO4
Mw 403.27225868
CAS RN 179598-81-3
C_ID C00027803 ,
InChIKey JWMZWHOQSOXWKZ-UHFFFAOYNA-N
InChICode InChI=1S/C24H37NO4/c1-5-25-11-23(12-27-2)7-6-19(26)24-16-8-15-17(28-3)9-13(20(16)21(15)29-4)14(22(24)25)10-18(23)24/h9,14-22,26H,5-8,10-12H2,1-4H3/t14-,15-,16-,17+,18-,19-,20-,21-,22-,23+,24-/m1/s1
SMILES N1(CC)C[C@@]2(CC[C@H]([C@]34[C@H]1[C@H](C[C@H]23)C1=C[C@@H]([C@H]2C[C@@H]4[C@@H]1[C@@H]2OC)OC)O)COC
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum nasutum Fisch.et Reichb. Ref.
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