input word = C00051561

Metabolite InformationStructural formula
Name Methyl gymnaconitine
Formula C35H49NO8
Mw 611.34581755
CAS RN 103956-42-9
C_ID C00051561
InChIKey WLRWZOWXGYYWOQ-UHFFFAOYNA-N
InChICode InChI=1S/C35H49NO8/c1-7-36-18-33(19-39-2)13-12-28(43-6)35-22-15-21-26(42-5)17-34(38,23(32(35)36)16-27(33)35)30(22)31(21)44-29(37)11-9-20-8-10-24(40-3)25(14-20)41-4/h8-11,14,21-23,26-28,30-32,38H,7,12-13,15-19H2,1-6H3/b11-9+/t21-,22-,23+,26+,27-,28+,30-,31+,32-,33+,34+,35-/m1/s1
SMILES CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6OC(=O)C=Cc1ccc(OC)c(OC)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum gymnandrum Ref.
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