input word = C00029795

Metabolite InformationStructural formula
Name Bastadin 3
Formula C34H30Br4N4O8
Mw 937.87971556
CAS RN 79067-77-9
C_ID C00029795 ,
InChIKey XEGSWNKCRGYRFG-HEPSPIFKSA-N
InChICode InChI=1S/C34H30Br4N4O8/c35-23-11-17(1-3-29(23)43)5-7-39-33(47)27(41-49)15-19-9-21(31(45)25(37)13-19)22-10-20(14-26(38)32(22)46)16-28(42-50)34(48)40-8-6-18-2-4-30(44)24(36)12-18/h1-4,9-14,43-46,49-50H,5-8,15-16H2,(H,39,47)(H,40,48)/b41-27-,42-28-
SMILES c1c(cc(c(c1Br)O)c1c(c(cc(c1)C/C(=N/O)/C(=O)NCCc1ccc(c(c1)Br)O)Br)O)C/C(=N/O)/C(=O)NCCc1ccc(c(c1)Br)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
--Ianthella basta Ref.
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