input word = C00016757

Metabolite InformationStructural formula
Name BU 4224V-B1
Cycloviracin B1
Formula C83H152O33
Mw 1677.02158738
CAS RN 142382-45-4
C_ID C00016757 ,
InChIKey UHXMKKIXCMBBAY-CKKWGKCSNA-N
InChICode InChI=1S/C83H152O33/c1-51(87)36-28-26-34-40-53(108-82-77(103-4)72(98)65(91)58(47-85)113-82)38-30-22-19-15-12-9-13-17-21-25-33-43-56-45-63(89)106-50-60-67(93)69(95)74(100)79(115-60)110-55(44-62(88)105-49-61-68(94)70(96)75(101)80(111-56)116-61)42-32-24-20-16-11-8-6-7-10-14-18-23-31-39-54(109-83-78(104-5)73(99)66(92)59(48-86)114-83)41-35-27-29-37-52(2)107-81-76(102-3)71(97)64(90)57(46-84)112-81/h51-61,64-87,90-101H,6-50H2,1-5H3/t51-,52-,53+,54+,55+,56-,57-,58-,59-,60-,61-,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74-,75-,76-,77-,78-,79+,80-,81-,82-,83-/m1/s1
SMILES O([C@@H](CCCCCCCCCCCCC[C@@H]1CC(=O)OC[C@H]2O[C@H](O[C@H](CC(=O)OC[C@H]3O[C@@H](O1)[C@@H]([C@H]([C@H]3O)O)O)CCCCCCCCCCCCCCC[C@@H](CCCCC[C@@H](C)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)OC)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)OC)[C@@H]([C@H]([C@H]2O)O)O)CCCCC[C@@H](C)O)[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--PseudonocardiaceaeKibdelosporangium albatum No. R761-7 (ATCC 55061) Ref.
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