input word = C00038232

Metabolite InformationStructural formula
Name 2-O-Acetylorochrine
Formula C23H30NO5
Mw 400.21239808
CAS RN 959853-60-2
C_ID C00038232 ,
InChIKey XLSMLDKTEXYCTG-ZWJNPLDDNA-N
InChICode InChI=1S/C23H30NO5/c1-10-6-21-14-5-13(10)16(26)15(21)17-22(14)8-12(29-11(2)25)7-20(3)9-24(17,4)23(28,18(20)22)19(21)27/h12-15,17-19,27-28H,1,5-9H2,2-4H3/q+1/t12-,13-,14+,15+,17+,18+,19-,20-,21+,22-,23-,24-/m0/s1
SMILES [C@]12([N@@+]3([C@@H]4[C@H]5C(=O)[C@@H]6C(=C)C[C@@]5([C@@H]2O)[C@H]([C@@]24[C@H]1[C@](C3)(C[C@@H](C2)OC(=O)C)C)C6)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum orochryseum Ref.
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