input word = C00017944

Metabolite InformationStructural formula
Name Phenelfamycin B
Formula C51H71NO15
Mw 937.48237061
CAS RN 118498-92-3
C_ID C00017944 ,
InChIKey VLBWFLKRBCOSGD-UHFFFAOYNA-N
InChICode InChI=1S/C51H71NO15/c1-9-10-14-25-41-50(5,6)48(66-43(56)28-35-22-15-13-16-23-35)47(58)51(60,67-41)36(31-63-44-30-40(61-7)45(57)34(4)64-44)49(59)52-27-20-19-21-32(2)46(62-8)33(3)39-29-37(53)38(65-39)24-17-11-12-18-26-42(54)55/h9-26,33-34,36-41,44-48,53,57-58,60H,27-31H2,1-8H3,(H,52,59)(H,54,55)/b10-9+,12-11+,20-19-,24-17-,25-14-,26-18-,32-21+/t33-,34-,36-,37-,38+,39+,40-,41+,44-,45+,46+,47+,48-,51+/m1/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)OC(=O)Cc1ccccc1)O)O)CO[C@H]1C[C@H]([C@H]([C@H](O1)C)O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces violaceusniger AB 999F-80 Ref.
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