input word = C00049764

Metabolite InformationStructural formula
Name (-)-Agelastatin A
Formula C12H13BrN4O3
Mw 340.01710321
CAS RN 152406-28-5
C_ID C00049764 ,
InChIKey MPASKXAEPUAMBS-SOWOXRODNA-N
InChICode InChI=1S/C12H13BrN4O3/c1-16-11(19)15-9-8-6(4-12(9,16)20)17-5(10(18)14-8)2-3-7(17)13/h2-3,6,8-9,20H,4H2,1H3,(H,14,18)(H,15,19)/t6-,8-,9+,12+/m1/s1
SMILES [C@@H]12[C@@H](NC(=O)c3n1c(cc3)Br)[C@H]1[C@@](C2)(N(C(=O)N1)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
AnimaliaAxinellidaeCymbastela sp. Ref.
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