input word = C00017945

Metabolite InformationStructural formula
Name Phenelfamycin C
Formula C58H83NO18
Mw 1081.56101486
CAS RN 118498-93-4
C_ID C00017945 ,
InChIKey CFQHTKGGWFGEKG-UHFFFAOYNA-N
InChICode InChI=1S/C58H83NO18/c1-11-12-16-27-46-57(6,7)54(65)55(75-48(63)30-39-24-17-15-18-25-39)58(67,77-46)40(34-71-49-33-45(69-9)53(38(5)73-49)76-50-32-44(68-8)51(64)37(4)72-50)56(66)59-29-22-21-23-35(2)52(70-10)36(3)43-31-41(60)42(74-43)26-19-13-14-20-28-47(61)62/h11-28,36-38,40-46,49-55,60,64-65,67H,29-34H2,1-10H3,(H,59,66)(H,61,62)/b12-11-,14-13+,22-21-,26-19+,27-16+,28-20-,35-23+/t36-,37-,38+,40-,41+,42-,43-,44-,45+,46-,49+,50+,51+,52+,53-,54-,55-,58+/m0/s1
SMILES C(/C=C\C=C(/C)\[C@@H](OC)[C@@H](C)[C@H]1O[C@H]([C@@H](C1)O)/C=C/C=C/C=C\C(=O)O)NC(=O)[C@@H]([C@@]1([C@H]([C@@H](C([C@@H](O1)/C=C/C=C\C)(C)C)O)OC(=O)Cc1ccccc1)O)CO[C@H]1C[C@H]([C@H]([C@H](O1)C)O[C@@H]1C[C@@H]([C@@H]([C@@H](O1)C)O)OC)OC
Start Substs in Alk. Biosynthesis (Prediction) L-His
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces violaceusniger AB 999F-80 Ref.
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