input word = C00016898

Metabolite InformationStructural formula
Name Quinolidomicin A2
Formula C83H134O23S
Mw 1530.90366132
CAS RN 154296-07-8
C_ID C00016898 ,
InChIKey HCQUGOSPUIBCFQ-FOGXVAHRNA-N
InChICode InChI=1S/C83H134O23S/c1-51-24-19-21-32-63(88)44-68(93)46-69(33-22-20-25-52(2)35-39-75(104-9)77-80(102)72(96)48-73(97)82(77)107-10)105-76(99)50-83(103)49-74(98)57(7)81(106-83)58(8)79(101)55(5)27-23-26-54(4)78(100)56(6)71(95)47-70(94)53(3)36-38-65(90)45-67(92)43-62(87)31-18-14-17-30-61(86)42-66(91)41-60(85)29-16-13-11-12-15-28-59(84)40-64(89)37-34-51/h11-18,20,22-23,25-27,29,31,33,48,51-53,55-65,67-71,74-75,78-79,81,84-90,92-98,100-103H,19,21,24,28,30,32,34-47,49-50H2,1-10H3/b13-11-,15-12-,17-14-,25-20+,27-23-,29-16+,31-18+,33-22+,54-26+/t51-,52+,53+,55-,56+,57+,58-,59-,60-,61-,62+,63-,64-,65+,67+,68-,69+,70+,71-,74+,75-,78+,79+,81+,83-/m1/s1
SMILES C\1=C\[C@H]([C@@H]([C@H]([C@@H]2[C@H]([C@H](C[C@](CC(=O)O[C@H](C[C@@H](C[C@@H](CCCC[C@H](CC[C@H](C[C@@H](C/C=C\C=C/C=C/[C@H](CC(=O)C[C@@H](C/C=C\C=C\[C@@H](C[C@H](O)C[C@H](CC[C@@H]([C@H](C[C@H]([C@@H]([C@H](\C(=C1)\C)O)C)O)O)C)O)O)O)O)O)O)C)O)O)/C=C/C=C/[C@@H](CC[C@H](c1c(c(cc(c1O)O)O)SC)OC)C)(O2)O)O)C)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaMicromonosporaceaeMicromonospora sp. JY16 Ref.
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