input word = C00038583

Metabolite InformationStructural formula
Name Bastadin 21
Formula C34H29Br3N4O8
Mw 857.95355263
CAS RN 437762-27-1
C_ID C00038583 ,
InChIKey TUYUXKVFCXANLL-QHTJZBTGSA-N
InChICode InChI=1S/C34H29Br3N4O8/c35-22-11-18-2-5-28(22)48-30-16-19(1-4-27(30)42)8-10-39-34(45)26(41-47)15-21-13-24(37)32(43)31(17-21)49-29-6-3-20(12-23(29)36)14-25(40-46)33(44)38-9-7-18/h1-6,11-13,16-17,42-43,46-47H,7-10,14-15H2,(H,38,44)(H,39,45)/b40-25+,41-26+
SMILES c1c2cc(c(c1)Oc1c(c(cc(c1)C/C(=N\O)/C(=O)NCCc1ccc(c(c1)Oc1c(cc(cc1)CCNC(=O)/C(=N/O)/C2)Br)O)Br)O)Br
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
--Ianthella quadrangulata Ref.
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OrganismIanthella quadrangulata
ReferenceGreve,J.Nat.Prod.,71,(2008),309