input word = C00027213

Metabolite InformationStructural formula
Name Hemsine B
Formula C36H49N5O5
Mw 631.37336971
CAS RN 530092-43-4
C_ID C00027213 ,
InChIKey SXSYPGPJIROFOD-UHPLKZHGNA-N
InChICode InChI=1S/C36H49N5O5/c1-7-23(3)30-33(42)37-20-18-25-14-16-27(17-15-25)46-29-19-21-41(32(29)35(44)39-30)36(45)28(22-26-12-10-9-11-13-26)38-34(43)31(40(5)6)24(4)8-2/h9-18,20,23-24,28-32H,7-8,19,21-22H2,1-6H3,(H,37,42)(H,38,43)(H,39,44)/b20-18-/t23-,24-,28-,29-,30-,31-,32-/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](Cc1ccccc1)NC(=O)[C@H]([C@H](CC)C)N(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaePaliurus hemsleyanus Ref.
PlantaeRhamnaceaePaliurus racemosus Ref.
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OrganismPaliurus racemosus
ReferenceLin,Helv.Chim.Acta,86,(2003),127