input word = C00029798

Metabolite InformationStructural formula
Name Bastadin 6
Formula C34H26Br6N4O8
Mw 1091.68509124
CAS RN 79067-74-6
C_ID C00029798 ,
InChIKey WSOCBHDTRCSWRH-OBWYSMLFSA-N
InChICode InChI=1S/C34H26Br6N4O8/c35-19-5-16-2-4-42-33(47)25(43-49)11-17-9-23(39)32(24(40)10-17)52-28-14-18(8-20(36)30(28)46)12-26(44-50)34(48)41-3-1-15-6-21(37)31(22(38)7-15)51-27(13-16)29(19)45/h5-10,13-14,45-46,49-50H,1-4,11-12H2,(H,41,48)(H,42,47)/b43-25-,44-26+
SMILES c1c(c2c(cc1C/C(=N/O)/C(=O)NCCc1cc(c(c(c1)Oc1c(cc(cc1Br)CCNC(=O)/C(=N/O)/Cc1cc(O2)c(c(c1)Br)O)Br)O)Br)Br)Br
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
--Ianthella basta Ref.
--Ianthella quadrangulata Ref.
--Psammaplysilla purpurea Ref.
zoom in