input word = C00001994

Metabolite InformationStructural formula
Name Aralionine A
Formula C34H38N4O5
Mw 582.28422035
CAS RN 21761-48-8
C_ID C00001994 ,
InChIKey JGTFUPZKTHJDJO-JWQLHTISNA-N
InChICode InChI=1S/C34H38N4O5/c1-5-22(2)29(38(3)4)34(42)37-28-31(25-14-10-7-11-15-25)43-26-18-16-23(17-19-26)20-21-35-32(40)27(36-33(28)41)30(39)24-12-8-6-9-13-24/h6-22,27-29,31H,5H2,1-4H3,(H,35,40)(H,36,41)(H,37,42)/b21-20-/t22-,27-,28-,29-,31+/m0/s1
SMILES c12ccc(cc1)/C=C\NC(=O)[C@@H](NC(=O)[C@H]([C@H](O2)c1ccccc1)NC(=O)[C@@H](N(C)C)[C@H](CC)C)C(=O)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction) L-Trp
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeAraliorhamnus vaginata Ref.
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