input word = C00026873

Metabolite InformationStructural formula
Name Dragmacidin D
Formula C25H22BrN7O2
Mw 531.1018359
CAS RN 142979-34-8
C_ID C00026873 ,
InChIKey XTUQWMCQNLFDOX-UHFFFAOYNA-N
InChICode InChI=1S/C25H22BrN7O2/c1-11(18-9-31-25(27)33-18)13-4-5-20(34)23-21(13)16(8-29-23)19-10-30-22(24(35)32-19)15-7-28-17-6-12(26)2-3-14(15)17/h2-11,25,28-29,31,33-34H,27H2,1H3,(H,32,35)/t11-,25-/m0/s1
SMILES CC(C1=CNC(N)N1)c1ccc(O)c2[nH]cc(-c3cnc(-c4c[nH]c5cc(Br)ccc45)c(=O)[nH]3)c12
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Phe
Organism
Kingdom Family Species Reference
AnimaliaHalichondriidaeSpongosorites sp. Ref.
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