input word = C00040229

Metabolite InformationStructural formula
Name Saundersioside A
(-)-Saundersioside A
Formula C46H72O19
Mw 928.46678012
CAS RN 151392-07-3
C_ID C00040229 ,
InChIKey PNUNKZGUVIXIDS-XGRMMPPHNA-N
InChICode InChI=1S/C46H72O19/c1-18(2)13-25-39(56)60-26-15-24-22-8-7-20-14-21(9-11-44(20,4)23(22)10-12-46(24)38(26)45(25,5)65-43(46)57-6)59-41-36(33(53)30(50)27(16-47)61-41)64-42-37(34(54)31(51)28(17-48)62-42)63-40-35(55)32(52)29(49)19(3)58-40/h7,13,19,21-43,47-56H,8-12,14-17H2,1-6H3/t19-,21-,22+,23-,24-,25-,26-,27+,28+,29-,30+,31+,32+,33-,34-,35+,36+,37+,38+,39+,40-,41+,42-,43+,44-,45-,46-/m0/s1
SMILES C12=CC[C@@H]3[C@@H]([C@]1(CC[C@@H](C2)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O)O)CO)C)CC[C@]12[C@H]3C[C@H]3[C@@H]1[C@]([C@H]([C@@H](O3)O)C=C(C)C)(O[C@H]2OC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHyacinthaceaeOrnithogalum saundersiae Ref.
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OrganismOrnithogalum saundersiae
ReferenceKuroda,Phytochem.,52,(1999),435