input word = C00050359

Metabolite InformationStructural formula
Name Eximisoside A
(-)-Eximisoside A
Formula C55H86O24
Mw 1130.55090368
CAS RN 193816-63-6
C_ID C00050359 ,
InChIKey NWFUMERWGFPBGP-KKXXSLSANA-N
InChICode InChI=1S/C55H86O24/c1-24(58)72-29-19-53(7)26-11-12-32-51(4,5)33(14-17-52(32,6)25(26)13-18-55(53)44(29)54(8,79-49(55)67)16-10-15-50(2,3)68)75-48-43(34(61)27(59)22-71-48)78-46-37(64)36(63)41(31(21-57)74-46)77-45-38(65)40(28(60)23-70-45)76-47-39(66)42(69-9)35(62)30(20-56)73-47/h10-11,15,25,27-48,56-57,59-66,68H,12-14,16-23H2,1-9H3/b15-10+/t25-,27+,28+,29-,30+,31+,32-,33-,34-,35+,36-,37+,38+,39+,40-,41-,42-,43+,44+,45-,46-,47-,48-,52+,53-,54-,55+/m0/s1
SMILES C1[C@H]2C(=CC[C@@H]3[C@@]2(CC[C@@H](C3(C)C)O[C@@H]2OC[C@H]([C@@H]([C@H]2O[C@H]2[C@@H]([C@@H]([C@H]([C@H](O2)CO)O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)OC)O)CO)O)O)O)O)O)C)[C@]2([C@]3(C1)[C@H]([C@H](C2)OC(=O)C)[C@@](OC3=O)(C/C=C/C(C)(O)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Psolus eximius Ref.
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