input word = C00017886

Metabolite InformationStructural formula
Name Paulomycin D
Formula C31H40N2O17S
Mw 744.2047686
CAS RN 101411-67-0
C_ID C00017886 ,
InChIKey QGUOEWOTWMAHCV-UHFFFAOYNA-N
InChICode InChI=1S/C31H40N2O17S/c1-7-16(33-11-51)29(41)50-24-18(10-45-14(4)34)48-27(30(42)9-17(36)22(32)21(26(30)38)28(39)40)23(37)25(24)49-20-8-19(44-6)31(43,13(3)47-20)12(2)46-15(5)35/h7,12-13,18-20,23-25,27,37,42-43H,8-10,32H2,1-6H3,(H,39,40)/b16-7+/t12-,13-,18+,19-,20-,23+,24+,25-,27+,30+,31+/m0/s1
SMILES C1(=O)[C@@](CC(=O)C(=C1C(=O)O)N)(O)[C@@H]1O[C@@H]([C@H]([C@H]([C@H]1O)O[C@H]1C[C@@H]([C@@]([C@@H](O1)C)(O)[C@@H](OC(=O)C)C)OC)OC(=O)/C(=C\C)/N=C=S)COC(=O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces paulus strain No.273 Ref.
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