input word = C00049113

Metabolite InformationStructural formula
Name Aplysinamisine I
Formula C16H17Br2N5O4
Mw 500.96472987
CAS RN 150417-67-7
C_ID C00049113 ,
InChIKey RPBHRSIJJYCYKG-BRMQPBDUNA-N
InChICode InChI=1S/C16H17Br2N5O4/c1-26-12-9(17)5-16(13(24)11(12)18)6-10(23-27-16)14(25)20-4-2-3-8-7-21-15(19)22-8/h2-3,5,7,13,24H,4,6H2,1H3,(H,20,25)(H3,19,21,22)/b3-2-/t13-,16+/m0/s1
SMILES C1(=C[C@]2([C@H](C(=C1OC)Br)O)CC(=NO2)C(=O)NC/C=C\c1cnc([nH]1)N)Br
Start Substs in Alk. Biosynthesis (Prediction) L-Asp
Organism
Kingdom Family Species Reference
AnimaliaAplysinidaeAplysina cauliformis Ref.
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OrganismAplysina cauliformis
ReferenceCiminiello,J.Nat.Prod.,62,(1999),590