input word = C00043336

Metabolite InformationStructural formula
Name Caissarine A
Formula C15H21Br2N5O5
Mw 508.99094462
CAS RN 439132-04-4
C_ID C00043336 ,
InChIKey RXBVKUAAUFHYBW-IURFCEGVNA-N
InChICode InChI=1S/C15H21Br2N5O5/c1-26-11-8(16)4-15(12(24)10(11)17)5-9(22-27-15)13(25)21-6-7(23)2-3-20-14(18)19/h4,7,12,23-24H,2-3,5-6H2,1H3,(H,21,25)(H4,18,19,20)/t7-,12+,15-/m0/s1
SMILES C1(=C([C@H]([C@@]2(C=C1Br)ON=C(C2)C(=O)NC[C@H](CCNC(=N)N)O)O)Br)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
AnimaliaAplysinidaeAplysina caissara Ref.
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