input word = C00029794

Metabolite InformationStructural formula
Name Bastadin 19
Formula C34H27Br5N4O8
Mw 1013.77457837
CAS RN 158982-26-4
C_ID C00029794 ,
InChIKey CSKUNLPGOUDJTP-IDVDRXHOSA-N
InChICode InChI=1S/C34H27Br5N4O8/c35-20-3-1-16-5-7-40-33(46)24(42-48)12-17-10-22(37)32(23(38)11-17)51-28-15-18(9-21(36)30(28)44)13-25(43-49)34(47)41-8-6-19-2-4-26(31(45)29(19)39)50-27(20)14-16/h1-4,9-11,14-15,44-45,48-49H,5-8,12-13H2,(H,40,46)(H,41,47)/b42-24-,43-25+
SMILES c1c(c2c(cc1C/C(=N/O)/C(=O)NCCc1ccc(c(c1)Oc1c(c(c(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.
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OrganismIanthella basta
ReferenceAoki,J.Nat.Med.,60,(2006),231