input word = C00026578

Metabolite InformationStructural formula
Name Celenamide C
Formula C34H36BrN5O7
Mw 705.17981144
CAS RN 75472-51-4
C_ID C00026578 ,
InChIKey PQFVZIDVFYWYFF-OFCWGYHGNA-N
InChICode InChI=1S/C34H36BrN5O7/c1-3-18(2)30(36)34(47)40-26(12-20-13-28(42)31(44)29(43)14-20)33(46)39-27(15-21-17-38-25-16-22(35)6-9-24(21)25)32(45)37-11-10-19-4-7-23(41)8-5-19/h4-14,16-18,27,30,38,41-44H,3,15,36H2,1-2H3,(H,37,45)(H,39,46)(H,40,47)/b11-10+,26-12-/t18-,27+,30+/m1/s1
SMILES c1(c[nH]c2c1ccc(c2)Br)C[C@H](NC(=O)/C(=C/c1cc(c(c(c1)O)O)O)/NC(=O)[C@@H](N)[C@@H](CC)C)C(=O)N/C=C/c1ccc(cc1)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
AnimaliaClionaidaeCliona chilensis Ref.
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