input word = C00015101

Metabolite InformationStructural formula
Name TPU 0037-D
Formula C47H74N4O9
Mw 838.54557999
CAS RN 485815-62-1
C_ID C00015101 ,
InChIKey JFDQRTPBIZLOCU-RJVJSCBMNA-N
InChICode InChI=1S/C47H74N4O9/c1-27(38(54)12-8-13-39(55)28(2)16-21-34(53)25-32-10-9-23-51(32)46(48)49)15-19-33(52)20-17-29(3)43(58)30(4)18-22-36-31(5)24-35-37(11-7-14-40(35)56)47(36,6)44(59)42-41(57)26-50-45(42)60/h8,12,15-17,19,24,27,30,32-40,43,52-58H,7,9-11,13-14,18,20-23,25-26H2,1-6H3,(H3,48,49)(H,50,60)/b12-8+,19-15+,28-16+,29-17+/t27-,30+,32-,33+,34-,35-,36-,37-,38-,39-,40+,43+,47+/m0/s1
SMILES CC1=CC2C(O)CCCC2C(C)(C(=O)C2=C(O)CNC2=O)C1CCC(C)C(O)/C(C)=C/CC(O)/C=C/C(C)C(O)/C=C/CC(O)/C(C)=C/CC(O)CC1CCCN1C(=N)N
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces platensis TP-A0598 Ref.
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