input word = C00028950

Metabolite InformationStructural formula
Name Rugosanine B
Formula C36H39N5O5
Mw 621.29511939
CAS RN 123519-68-6
C_ID C00028950 ,
InChIKey QZOCUGBTNMSOOJ-BMRADRMJNA-N
InChICode InChI=1S/C36H39N5O5/c1-40(2)30(21-25-22-38-28-12-8-7-11-27(25)28)36(44)41-18-16-32-33(41)35(43)39-29(19-23-9-5-4-6-10-23)34(42)37-17-15-24-20-26(46-32)13-14-31(24)45-3/h4-15,17,20,22,29-30,32-33,38H,16,18-19,21H2,1-3H3,(H,37,42)(H,39,43)/b17-15-/t29-,30-,32-,33+/m1/s1
SMILES [C@@H]1(NC(=O)[C@@H]2[C@H](Oc3cc(/C=C\NC1=O)c(cc3)OC)CCN2C(=O)[C@H](N(C)C)Cc1c2c([nH]c1)cccc2)Cc1ccccc1
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeZizyphus rugosa Ref.
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