input word = C00015463

Metabolite InformationStructural formula
Name Antibiotic TMC 171C
TMC 171C
Formula C41H72O15
Mw 804.48712163
CAS RN 259259-93-0
C_ID C00015463 ,
InChIKey USAOLSWINIVBBG-INDLWERWNA-N
InChICode InChI=1S/C41H72O15/c1-11-20(2)12-21(3)13-26(8)39(56-41-38(52)37(51)36(50)31(18-43)55-41)27(9)15-24(6)32(46)22(4)14-23(5)33(47)25(7)16-28(10)40(53)54-19-30(45)35(49)34(48)29(44)17-42/h13-16,20-22,25,27,29-39,41-52H,11-12,17-19H2,1-10H3/b23-14+,24-15+,26-13+,28-16+/t20-,21-,22-,25-,27-,29+,30+,31+,32-,33+,34+,35+,36+,37-,38-,39+,41+/m0/s1
SMILES [C@H]([C@@H]([C@@H](COC(=O)/C(=C/[C@@H]([C@@H](/C(=C/[C@@H]([C@@H](/C(=C/[C@@H]([C@H](O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/C(=C/[C@@H](C)C[C@@H](C)CC)/C)C)/C)O)C)/C)O)C)/C)O)O)([C@@H](CO)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiHypocreaceaeGliocladium sp. TC 1304 Ref.
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