input word = C00038581

Metabolite InformationStructural formula
Name Bastadin 12
Formula C34H27Br5N4O9
Mw 1029.76949299
CAS RN 150204-46-9
C_ID C00038581 ,
InChIKey YUJCERKJBSZPJE-WIIHRWOPNA-N
InChICode InChI=1S/C34H27Br5N4O9/c35-19-5-15-1-2-27(19)51-28-11-17(7-21(37)30(28)45)9-25(43-50)34(48)41-14-26(44)18-12-22(38)32(23(39)13-18)52-29-10-16(6-20(36)31(29)46)3-4-40-33(47)24(8-15)42-49/h1-2,5-7,10-13,26,44-46,49-50H,3-4,8-9,14H2,(H,40,47)(H,41,48)/b42-24-,43-25-/t26-/m1/s1
SMILES O=C1NCCc2cc(Br)c(O)c(c2)Oc2c(Br)cc(cc2Br)[C@H](O)CNC(=O)/C(=N/O)Cc2cc(Br)c(O)c(c2)Oc2ccc(cc2Br)C/C1=N/O
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