input word = C00029797

Metabolite InformationStructural formula
Name Bastadin 5
Formula C34H27Br5N4O8
Mw 1013.77457837
CAS RN 79067-75-7
C_ID C00029797 ,
InChIKey UXXAEQAYQWEARL-DCRHPOARSA-N
InChICode InChI=1S/C34H27Br5N4O8/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/h1-2,7-11,14-15,44-45,48-49H,3-6,12-13H2,(H,40,47)(H,41,46)/b42-25+,43-26+
SMILES c1c(c2c(cc1C/C(=N\O)/C(=O)NCCc1cc(c(c(c1)Oc1c(cc(cc1)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.
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OrganismIanthella quadrangulata
ReferenceGreve,J.Nat.Prod.,71,(2008),309