input word = C00028568

Metabolite InformationStructural formula
Name Mauritine J
Formula C37H48N6O5
Mw 656.36861869
CAS RN 177715-71-8
C_ID C00028568 ,
InChIKey VRDSBADVLUFDMM-ADYTZRQSNA-N
InChICode InChI=1S/C37H48N6O5/c1-6-22(3)31(38-5)35(45)41-29(20-25-21-40-28-11-9-8-10-27(25)28)37(47)43-19-17-30-33(43)36(46)42-32(23(4)7-2)34(44)39-18-16-24-12-14-26(48-30)15-13-24/h8-16,18,21-23,29-33,38,40H,6-7,17,19-20H2,1-5H3,(H,39,44)(H,41,45)(H,42,46)/b18-16-/t22-,23-,29-,30-,31-,32-,33-/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](Cc1c2c([nH]c1)cccc2)NC(=O)[C@@H](NC)[C@@H](C)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeZizyphus mauritiana Ref.
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