input word = C00028346

Metabolite InformationStructural formula
Name Himeradine A
Formula C29H45N3O
Mw 451.35626308
CAS RN 552831-75-1
C_ID C00028346 ,
InChIKey BTIUFBOZBCCUHD-TWVSOLJNNA-N
InChICode InChI=1S/C29H45N3O/c1-18-11-24-6-4-5-9-31(24)25(12-18)15-23-7-8-28-22-14-26-21(13-27(28)30-23)10-19(2)16-29(26,28)32(17-22)20(3)33/h18-19,21-26H,4-17H2,1-3H3/t18-,19+,21-,22+,23-,24+,25-,26+,28-,29+/m0/s1
SMILES CC(=O)N1C[C@H]2CC3C4CC5=N[C@H](C[C@@H]6C[C@@H](C)C[C@H]7CCCCN76)CC[C@@]52C31C[C@H](C)C4
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg
Organism
Kingdom Family Species Reference
PlantaeLycopodiaceaeLycopodium chinense Ref.
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OrganismLycopodium chinense
ReferenceMorita,J.Org.Chem.,68,(2003),4563