input word = C00001993

Metabolite InformationStructural formula
Name Amphibine B
Formula C39H47N5O5
Mw 665.35771965
CAS RN 38541-74-1
C_ID C00001993 ,
InChIKey BZXBQQGSSIQELG-AZWBNHAYNA-N
InChICode InChI=1S/C39H47N5O5/c1-5-26(2)34(42-37(46)32(43(3)4)25-29-14-10-7-11-15-29)39(48)44-23-21-33-35(44)38(47)41-31(24-28-12-8-6-9-13-28)36(45)40-22-20-27-16-18-30(49-33)19-17-27/h6-20,22,26,31-35H,5,21,23-25H2,1-4H3,(H,40,45)(H,41,47)(H,42,46)/b22-20-/t26-,31-,32-,33-,34-,35-/m0/s1
SMILES c12ccc(cc1)/C=C\NC(=O)[C@@H](NC(=O)[C@@H]1[C@@H](O2)CCN1C(=O)[C@H]([C@H](CC)C)NC(=O)[C@H](Cc1ccccc1)N(C)C)Cc1ccccc1
Start Substs in Alk. Biosynthesis (Prediction) L-Trp
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeZiziphus amphibia Ref.
PlantaeRhamnaceaeZiziphus mauritania Ref.
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