input word = C00029796

Metabolite InformationStructural formula
Name Bastadin 4
Formula C34H25Br5N4O8
Mw 1011.75892831
CAS RN 79067-76-8
C_ID C00029796 ,
InChIKey YCBNAUHIFJRIQW-YUALJMAISA-N
InChICode InChI=1S/C34H25Br5N4O8/c35-20-7-16-1-2-27(20)50-28-14-17(8-21(36)30(28)44)4-6-41-33(46)25(42-48)12-18-10-23(38)32(24(39)11-18)51-29-15-19(9-22(37)31(29)45)13-26(43-49)34(47)40-5-3-16/h1-3,5,7-11,14-15,44-45,48-49H,4,6,12-13H2,(H,40,47)(H,41,46)/b5-3-,42-25+,43-26+
SMILES O=C1N/C=Cc2ccc(c(Br)c2)Oc2cc(cc(Br)c2O)CCNC(=O)/C(=N/O)Cc2cc(Br)c(c(Br)c2)Oc2cc(cc(Br)c2O)C/C1=NO
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
--Ianthella basta Ref.
--Ianthella quadrangulata Ref.
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