input word = C00024855

Metabolite InformationStructural formula
Name Contortine
Formula C28H37NO6
Mw 483.26208792
CAS RN 144398-39-0
C_ID C00024855 ,
InChIKey CZQOWDLZQUUTQR-UHFFFAOYNA-N
InChICode InChI=1S/C28H37NO6/c1-7-13(2)25(33)35-24-18(34-15(4)30)11-28-19-8-16-14(3)9-27(19)10-17(31)22(28)26(24,5)12-29(6)23(28)20(27)21(16)32/h13,16,18-20,22-24H,3,7-12H2,1-2,4-6H3/t13-,16+,18+,19-,20-,22+,23+,24-,26-,27-,28+/m1/s1
SMILES C=C1CC23CC(=O)C4C5(C)CN(C)C6C2C(=O)C1CC3C64CC(OC(C)=O)C5OC(=O)C(C)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Cholesterol
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum contortum Ref.
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