input word = C00018440

Metabolite InformationStructural formula
Name Tetrocarcin F
Formula C55H76N2O19
Mw 1068.50422826
CAS RN 82612-05-3
C_ID C00018440 ,
InChIKey QBQCTQVQVSXOLZ-UYMLLIRTNA-N
InChICode InChI=1S/C55H76N2O19/c1-25-12-16-39(73-43-23-53(9,57(66)67)48(31(7)71-43)56-52(65)68-11)26(2)19-36-38(61)20-33(24-58)22-55(36)50(63)44(51(64)76-55)49(62)54(10)35(25)14-13-34-45(54)27(3)18-28(4)46(34)75-42-21-40(47(30(6)70-42)72-32(8)59)74-41-17-15-37(60)29(5)69-41/h12-14,19-20,24,27-31,34-43,45-48,60-61,63H,15-18,21-23H2,1-11H3,(H,56,65)/b25-12-,26-19+/t27-,28+,29+,30+,31+,34-,35-,36-,37-,38-,39+,40-,41+,42-,43-,45-,46-,47+,48+,53-,54-,55-/m0/s1
SMILES C1(=C[C@@H]([C@H]2[C@]3(C1)OC(=O)C(=C3O)C(=O)[C@]1([C@H](/C(=C\C[C@H](/C(=C/2)/C)O[C@@H]2O[C@@H]([C@H]([C@@](C2)(C)[N+](=O)[O-])NC(=O)OC)C)/C)C=C[C@H]2[C@@H]1[C@H](C[C@H]([C@@H]2O[C@H]1C[C@@H]([C@@H]([C@H](O1)C)OC(=O)C)O[C@@H]1CC[C@@H]([C@H](O1)C)O)C)C)C)O)C=O
Start Substs in Alk. Biosynthesis (Prediction) L-Arg
Organism
Kingdom Family Species Reference
BacteriaMicromonosporaceaeMicromonospora chalcea KY 11091 Ref.
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