input word = C00001992

Metabolite InformationStructural formula
Name Amphibine A
Formula C33H43N5O4
Mw 573.3315049
CAS RN 36535-97-4
C_ID C00001992 ,
InChIKey ZNUMAFXIQXNMMH-BLBBEVOQNA-N
InChICode InChI=1S/C33H43N5O4/c1-7-21(4)28-32(40)34-17-16-22-12-14-24(15-13-22)42-30(20(2)3)29(33(41)36-28)37-31(39)27(38(5)6)18-23-19-35-26-11-9-8-10-25(23)26/h8-17,19-21,27-30,35H,7,18H2,1-6H3,(H,34,40)(H,36,41)(H,37,39)/b17-16-/t21-,27-,28-,29-,30-/m0/s1
SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C)[C@H](C(C)C)Oc2ccc(cc2)/C=C\NC1=O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeZiziphus amphibia Ref.
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