input word = C00027212

Metabolite InformationStructural formula
Name Hemsine A
Formula C32H39N5O4
Mw 557.30020477
CAS RN 530092-42-3
C_ID C00027212 ,
InChIKey YNICLIHGWDJRJP-HQZAGQODNA-N
InChICode InChI=1S/C32H39N5O4/c1-5-20(2)28-30(38)33-16-14-21-10-12-24(13-11-21)41-27-15-17-37(29(27)31(39)35-28)32(40)26(36(3)4)19-23-18-22-8-6-7-9-25(22)34-23/h6-14,16,18,20,26-29,34H,5,15,17,19H2,1-4H3,(H,33,38)(H,35,39)/b16-14-/t20-,26-,27-,28-,29-/m0/s1
SMILES c1c2ccc(c1)O[C@@H]1[C@@H](C(=O)N[C@H](C(=O)N/C=C\2)[C@H](CC)C)N(CC1)C(=O)[C@@H](N(C)C)Cc1cc2c([nH]1)cccc2
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaePaliurus hemsleyanus Ref.
PlantaeRhamnaceaePaliurus racemosus Ref.
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