input word = C00058703

Metabolite InformationStructural formula
Name Robinioside C
Formula C54H86O24
Mw 1118.55090368
CAS RN 148332-55-2
C_ID C00058703
InChIKey LWOSSVNUGRARMG-DSZIJALBSA-N
InChICode InChI=1S/C54H86O24/c1-21-30(57)33(60)38(65)44(71-21)75-29-18-49(3,48(69)70)17-24-23-9-10-27-51(5)13-12-28(52(6,20-56)26(51)11-14-54(27,8)53(23,7)16-15-50(24,29)4)74-47-42(37(64)36(63)40(76-47)43(67)68)78-46-41(35(62)32(59)25(19-55)73-46)77-45-39(66)34(61)31(58)22(2)72-45/h9,21-22,24-42,44-47,55-66H,10-20H2,1-8H3,(H,67,68)(H,69,70)/t21-,22-,24-,25+,26+,27+,28-,29+,30-,31-,32-,33+,34+,35-,36-,37-,38+,39+,40-,41+,42+,44-,45-,46-,47+,49-,50+,51-,52+,53+,54+/m0/s1
SMILES C[C@]12[C@]3(C([C@@]4([H])[C@@](CC3)([C@@H](C[C@](C)(C4)C(O)=O)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)O)O)O)C)=CC[C@]1([H])[C@@]6([C@@]([C@](C)([C@H](CC6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(O)=O)O)O)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)CO)([H])CC2)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeRobinia pseudoacacia Ref.
zoom in