input word = C00024854

Metabolite InformationStructural formula
Name Contorsine
O2-Acetyl-O3-isobutyrylhetidine
Formula C27H35NO6
Mw 469.24643786
CAS RN 144398-40-3
C_ID C00024854 ,
InChIKey RKNDSOTXGNOQPZ-UHFFFAOYNA-N
InChICode InChI=1S/C27H35NO6/c1-12(2)24(32)34-23-17(33-14(4)29)10-27-18-7-15-13(3)8-26(18)9-16(30)21(27)25(23,5)11-28(6)22(27)19(26)20(15)31/h12,15,17-19,21-23H,3,7-11H2,1-2,4-6H3/t15-,17-,18+,19+,21+,22+,23+,25-,26+,27+/m0/s1
SMILES C=C1CC23CC(=O)C4C5(C)CN(C)C6C2C(=O)C1CC3C64CC(OC(C)=O)C5OC(=O)C(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum contortum Ref.
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