input word = C00026575

Metabolite InformationStructural formula
Name Celenamide E
Formula C28H25BrN4O7
Mw 608.09066208
CAS RN 202855-03-6
C_ID C00026575 ,
InChIKey ILRKTUIGMMDKBH-WQHDBBKRNA-N
InChICode InChI=1S/C28H25BrN4O7/c29-17-2-3-18-16(13-32-20(18)12-17)11-21(28(40)31-6-5-14-1-4-22(34)23(35)8-14)33-27(39)19(30)7-15-9-24(36)26(38)25(37)10-15/h1-10,12-13,21,32,34-38H,11,30H2,(H,31,40)(H,33,39)/b6-5+,19-7-/t21-/m0/s1
SMILES c1(c[nH]c2c1ccc(c2)Br)C[C@H](NC(=O)/C(=C\c1cc(c(c(c1)O)O)O)/N)C(=O)N/C=C/c1cc(c(cc1)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Anthranilate
Organism
Kingdom Family Species Reference
AnimaliaClionaidaeCliona chilensis Ref.
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OrganismCliona chilensis
ReferencePalemo,J.Nat.Prod.,61,(1998),488