input word = C00038500

Metabolite InformationStructural formula
Name Ardisianoside F
(-)-Ardisianoside F
Formula C58H96O27
Mw 1224.61389786
CAS RN 932018-32-1
C_ID C00038500 ,
InChIKey OCLRKHSJKXGXRY-YJRACHNSNA-N
InChICode InChI=1S/C58H96O27/c1-52(2)29-7-11-55(5)30(8-12-58-31-15-53(3,22-62)13-14-57(31,23-77-58)32(64)16-56(55,58)6)54(29,4)10-9-33(52)82-50-45(84-49-43(74)40(71)36(67)26(18-60)79-49)38(69)28(21-76-50)81-51-46(85-47-41(72)34(65)24(63)20-75-47)44(37(68)27(19-61)80-51)83-48-42(73)39(70)35(66)25(17-59)78-48/h24-51,59-74H,7-23H2,1-6H3/t24-,25+,26+,27+,28-,29-,30+,31+,32+,33-,34+,35-,36-,37+,38-,39-,40-,41+,42+,43+,44-,45+,46+,47-,48-,49-,50-,51-,53-,54+,55+,56-,57+,58-/m0/s1
SMILES CC1(C)[C@@H](O[C@@H]2OC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O[C@@H]3OC[C@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@]2(C)[C@H]3CC[C@]45OC[C@@]6(CC[C@](C)(CO)C[C@H]64)[C@H](O)C[C@@]5(C)[C@]3(C)CC[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrsinaceaeArdisia japonica Ref.
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