input word = C00049097

Metabolite InformationStructural formula
Name 6-O-Acetyldemethylenedelcorine
Formula C27H43NO8
Mw 509.29886736
CAS RN 229159-08-4
C_ID C00049097 ,
InChIKey BXWPDMXKEZYVBB-UHFFFAOYNA-N
InChICode InChI=1S/C27H43NO8/c1-7-28-12-24(13-32-3)9-8-18(34-5)26-16-10-15-17(33-4)11-25(30,19(16)20(15)35-6)27(31,23(26)28)22(21(24)26)36-14(2)29/h15-23,30-31H,7-13H2,1-6H3/t15-,16-,17-,18-,19-,20-,21-,22+,23+,24+,25-,26+,27-/m0/s1
SMILES N1(CC)[C@H]2[C@]3([C@@H]([C@@H]4[C@@]2([C@H]2C[C@H]5[C@H](C[C@@]3([C@@H]2[C@H]5OC)O)OC)[C@H](CC[C@@]4(C1)COC)OC)OC(=O)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Arg Secologanin Cholesterol
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum lycoctonum Ref.
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OrganismAconitum lycoctonum
ReferenceChen,J.Nat.Prod.,62,(1999),798