input word = C00025512

Metabolite InformationStructural formula
Name Holarrhesine
Formula C29H46N2O2
Mw 454.35592873
CAS RN 70866-29-4
C_ID C00025512 ,
InChIKey BJEAHAPLWWPUQZ-AZYJVBTNNA-N
InChICode InChI=1S/C29H46N2O2/c1-18(2)7-12-27(32)33-26-16-25-22(9-8-20-15-21(30-5)13-14-28(20,25)4)24-11-10-23-19(3)31(6)17-29(23,24)26/h7-8,19,21-26,30H,9-17H2,1-6H3/t19-,21-,22-,23+,24-,25-,26+,28-,29+/m0/s1
SMILES CN[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H]5[C@H](C)N(C)C[C@@]54[C@H](OC(=O)CC=C(C)C)C[C@@H]32)C1
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Cholesterol
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeHolarrhena floribunda Ref.
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