input word = C00045957

Metabolite InformationStructural formula
Name Galtonioside A
(-)-Galtonioside A
Formula C48H72O19
Mw 952.46678012
CAS RN 259196-17-3
C_ID C00045957 ,
InChIKey KGQCPFLOKMIEPS-OQMPNUSPNA-N
InChICode InChI=1S/C48H72O19/c1-20(2)10-32-41(66-46-40(57)38(55)43(33(17-49)65-46)67-45-39(56)37(54)28(52)18-62-45)21(3)35-29(64-32)15-26-25-9-8-23-13-24(14-34(53)48(23,19-50)36(25)27(51)16-47(26,35)4)63-44(58)22-11-30(59-5)42(61-7)31(12-22)60-6/h10-12,21,23-29,32-41,43,45-46,49-57H,8-9,13-19H2,1-7H3/t21-,23+,24+,25-,26-,27+,28-,29-,32-,33+,34-,35-,36+,37-,38+,39+,40+,41+,43+,45-,46-,47-,48+/m0/s1
SMILES c1(c(c(cc(c1)C(=O)O[C@H]1C[C@@H]([C@]2([C@@H](C1)CC[C@@H]1[C@@H]2[C@@H](C[C@]2([C@H]1C[C@H]1[C@@H]2[C@@H]([C@H]([C@@H](O1)C=C(C)C)O[C@H]1[C@H](O)[C@H]([C@@H]([C@H](O1)CO)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O)O)O)C)C)O)CO)O)OC)OC)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHyacinthaceaeGaltonia candicans Ref.
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