input word = C00030443

Metabolite InformationStructural formula
Name Gymnoside VIII
Formula C44H60O24
Mw 972.34745285
CAS RN 898826-99-8
C_ID C00030443 ,
InChIKey FXNPIMIQKLGRAQ-GAYNPUMHNA-N
InChICode InChI=1S/C44H60O24/c1-5-20(2)44(68-42-38(57)39(62-22(4)48)33(52)29(67-42)19-59-21(3)47,43(58)61-18-24-8-12-26(13-9-24)64-41-37(56)35(54)32(51)28(16-46)66-41)14-30(49)60-17-23-6-10-25(11-7-23)63-40-36(55)34(53)31(50)27(15-45)65-40/h6-13,20,27-29,31-42,45-46,50-57H,5,14-19H2,1-4H3/t20-,27-,28-,29-,31-,32-,33-,34+,35+,36-,37-,38-,39+,40-,41-,42+,44+/m1/s1
SMILES CCC(C)[C@](CC(=O)OCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1)(O[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](OC(C)=O)[C@H]1O)C(=O)OCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOrchidaceaeGymnadenia conopsea R.BR. Ref.
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