input word = C00026576

Metabolite InformationStructural formula
Name Celenamide A
Formula C34H36BrN5O8
Mw 721.17472606
CAS RN 74144-98-2
C_ID C00026576 ,
InChIKey GMIGULOYGDBTFX-RHQCVGMNNA-N
InChICode InChI=1S/C34H36BrN5O8/c1-3-17(2)30(36)34(48)40-24(10-19-12-28(43)31(45)29(44)13-19)33(47)39-25(14-20-16-38-23-15-21(35)5-6-22(20)23)32(46)37-9-8-18-4-7-26(41)27(42)11-18/h4-13,15-17,25,30,38,41-45H,3,14,36H2,1-2H3,(H,37,46)(H,39,47)(H,40,48)/b9-8+,24-10-/t17-,25+,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/c1cc(c(cc1)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
AnimaliaClionaidaeCliona chilensis Ref.
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