input word = C00029967

Metabolite InformationStructural formula
Name Circinadine B
Formula C24H39NO7
Mw 453.27265261
CAS RN 886438-48-8
C_ID C00029967 ,
InChIKey CQTKITISLNQYEI-UHFFFAOYNA-N
InChICode InChI=1S/C24H39NO7/c1-5-25-10-21(11-30-2)14-6-12-19(25)24(14,16(31-3)7-15(21)26)13-8-23(29)17(32-4)9-22(12,28)18(13)20(23)27/h12-20,26-29H,5-11H2,1-4H3/t12-,13+,14+,15+,16+,17-,18+,19+,20-,21+,22-,23-,24+/m1/s1
SMILES [C@H]12[C@@H]3N(C[C@@]4([C@@H]([C@@]3([C@H]3C[C@]5([C@@H](C[C@@]2([C@@H]3[C@H]5O)O)OC)O)[C@H](C[C@@H]4O)OC)C1)COC)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum hemsleyanum var. circinacum Ref.
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