input word = C00015461

Metabolite InformationStructural formula
Name Antibiotic TMC 171A
TMC 171A
Formula C41H72O15
Mw 804.48712163
CAS RN 259258-91-8
C_ID C00015461 ,
InChIKey ZDTPAUDBSLWUGF-ISJJAMRONA-N
InChICode InChI=1S/C41H72O15/c1-11-20(2)12-21(3)13-26(8)38(56-41-37(52)36(51)35(50)31(19-44)54-41)27(9)15-24(6)32(47)22(4)14-23(5)33(48)25(7)16-28(10)40(53)55-39(30(46)18-43)34(49)29(45)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 CC[C@H](C)C[C@H](C)/C=C(C)[C@@H](O[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O)[C@@H](C)/C=C(C)[C@@H](O)[C@@H](C)/C=C(C)[C@@H](O)[C@@H](C)/C=C(C)C(=O)O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiHypocreaceaeGliocladium sp. TC 1304 Ref.
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