input word = C00028273

Metabolite InformationStructural formula
Name Fistularin 3
Formula C31H30Br6N4O11
Mw 1107.70113523
CAS RN 73622-22-7
C_ID C00028273 ,
InChIKey TURTULDFIIAPTC-KKSICVLRNA-N
InChICode InChI=1S/C31H30Br6N4O11/c1-48-24-16(34)5-30(26(44)21(24)36)7-18(40-51-30)28(46)38-9-13(42)11-50-23-14(32)3-12(4-15(23)33)20(43)10-39-29(47)19-8-31(52-41-19)6-17(35)25(49-2)22(37)27(31)45/h3-6,13,20,26-27,42-45H,7-11H2,1-2H3,(H,38,46)(H,39,47)/t13-,20-,26-,27+,30+,31+/m0/s1
SMILES C1(=C(C(=C[C@@]2([C@H]1O)ON=C(C2)C(=O)NC[C@@H](COc1c(cc(cc1Br)[C@H](CNC(=O)C1=NO[C@]2(C1)[C@@H](C(=C(C(=C2)Br)OC)Br)O)O)Br)O)Br)OC)Br
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
AnimaliaAplysinidaeAplysina caissara Ref.
--Verongia aerophobia Ref.
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OrganismAplysina caissara
ReferenceSaeki,J.Nat.Prod.,65,(2002),796