input word = C00016306

Metabolite InformationStructural formula
Name Saccharocarcin F
Formula C68H103NO19
Mw 1237.71243012
CAS RN 158475-37-7
C_ID C00016306 ,
InChIKey TWTFRYGNJKVUCY-UMJPHFHLNA-N
InChICode InChI=1S/C68H103NO19/c1-15-16-43-17-18-44-27-36(6)59(87-55-31-66(13,77)62(41(11)82-55)69-42(12)70)34(4)25-32(2)46-20-19-45-57(67(46,14)63(74)56-64(75)68(44,30-43)88-65(56)76)33(3)26-35(5)60(45)85-52-24-22-49(38(8)79-52)83-54-29-50(84-51-23-21-47(71)37(7)78-51)61(40(10)81-54)86-53-28-48(72)58(73)39(9)80-53/h17-20,25,27,33-35,37-41,43-55,57-62,71-73,75,77H,15-16,21-24,26,28-31H2,1-14H3,(H,69,70)/b32-25-,36-27+/t33-,34+,35+,37+,38+,39-,40-,41+,43+,44-,45-,46+,47-,48-,49+,50-,51-,52-,53+,54+,55+,57+,58+,59-,60-,61+,62+,66-,67+,68-/m0/s1
SMILES [C@H]1(C=C[C@@H]2[C@]3(C1)OC(=O)C(=C3O)C(=O)[C@@]1([C@@H](/C(=C\[C@H]([C@@H](/C(=C/2)/C)O[C@@H]2C[C@]([C@@H]([C@H](O2)C)NC(=O)C)(C)O)C)/C)C=C[C@H]2[C@H]1[C@H](C[C@H]([C@@H]2O[C@H]1CC[C@H]([C@H](O1)C)O[C@H]1O[C@H]([C@H]([C@H](C1)O[C@H]1CC[C@@H]([C@H](O1)C)O)O[C@@H]1C[C@@H]([C@@H]([C@@H](O1)C)O)O)C)C)C)C)CCC
Start Substs in Alk. Biosynthesis (Prediction) L-Arg
Organism
Kingdom Family Species Reference
--Lechevalieria aerocolonigenes subsp. antibiotica Ref.
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