input word = C00029902

Metabolite InformationStructural formula
Name Capilliposide B
Formula C58H96O24
Mw 1176.629154
CAS RN 897936-99-1
C_ID C00029902 ,
InChIKey QKHRYXFNBBXWAG-ZSFCHCLLNA-N
InChICode InChI=1S/C58H96O24/c1-9-10-11-12-36(63)78-35-21-52(2,3)19-32-57-18-17-54(6)27-13-14-34(53(4,5)26(27)15-16-55(54,7)56(57,8)20-33(62)58(32,35)51(72)82-57)75-31-25-74-48(44(71)45(31)79-49-43(70)40(67)38(65)29(22-59)76-49)81-50-46(41(68)39(66)30(23-60)77-50)80-47-42(69)37(64)28(61)24-73-47/h26-35,37-51,59-62,64-72H,9-25H2,1-8H3/t26-,27+,28-,29-,30-,31-,32+,33-,34+,35+,37+,38-,39-,40+,41+,42-,43-,44-,45-,46-,47+,48-,49+,50+,51+,54-,55-,56+,57+,58-/m1/s1
SMILES [C@@H]1(O)[C@@]23[C@@H](C[C@]4([C@@]5(CC[C@H]6C([C@H](CC[C@@H]6[C@]5(CC[C@@]4([C@@H]2CC(C[C@@H]3OC(=O)CCCCC)(C)C)O1)C)O[C@@H]1CO[C@@H]([C@@H]([C@@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)(C)C)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrsinaceaeLysimachia capillipes Ref.
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