input word = C00018534

Metabolite InformationStructural formula
Name Safracin A
Formula C28H36N4O6
Mw 524.26348491
CAS RN 87578-98-1
C_ID C00018534 ,
InChIKey AZDDAJXLYMVMAW-PBNSZDMFNA-N
InChICode InChI=1S/C28H36N4O6/c1-12-7-15-8-16-11-32-18(22(31(16)4)20(15)24(34)26(12)37-5)9-17-21(19(32)10-30-28(36)14(3)29)25(35)27(38-6)13(2)23(17)33/h7,14,16,18-19,22,34H,8-11,29H2,1-6H3,(H,30,36)/t14-,16-,18-,19-,22-/m0/s1
SMILES C1(=C(C(=O)C2=C(C1=O)C[C@@H]1N([C@H]2CNC(=O)[C@H](C)N)C[C@@H]2Cc3c([C@H]1N2C)c(c(c(c3)C)OC)O)OC)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Arg
Organism
Kingdom Family Species Reference
BacteriaPseudomonadaceaePseudomonas fluorescens Ref.
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