input word = C00027214

Metabolite InformationStructural formula
Name Hemsine C
Formula C41H48N6O5
Mw 704.36861869
CAS RN 530092-44-5
C_ID C00027214 ,
InChIKey KHZCAMRJBXAZCY-FCALQXGKNA-N
InChICode InChI=1S/C41H48N6O5/c1-5-26(2)35-39(49)42-22-21-27-17-19-30(20-18-27)52-37(28-12-7-6-8-13-28)36(40(50)44-35)45-38(48)33-16-11-23-47(33)41(51)34(46(3)4)24-29-25-43-32-15-10-9-14-31(29)32/h6-10,12-15,17-22,25-26,33-37,43H,5,11,16,23-24H2,1-4H3,(H,42,49)(H,44,50)(H,45,48)/b22-21-/t26-,33+,34+,35+,36+,37+/m1/s1
SMILES c1c2ccc(c1)O[C@H]([C@@H](C(=O)N[C@H](C(=O)N/C=C\2)[C@H](C)CC)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c2c([nH]c1)cccc2)N(C)C)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaePaliurus hemsleyanus Ref.
PlantaeRhamnaceaePaliurus racemosus Ref.
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