input word = C00034218

Metabolite InformationStructural formula
Name (-)-Asparanin A
Schidigera saponin D5
Asparanin A
Formula C39H64O13
Mw 740.43469213
CAS RN 84633-33-0
C_ID C00034218 ,
InChIKey IATIAUOAJIFOSI-PXJUKKGBNA-N
InChICode InChI=1S/C39H64O13/c1-18-9-12-39(47-17-18)19(2)28-24-8-7-22-23(38(24,4)14-25(28)52-39)6-5-20-13-21(10-11-37(20,22)3)48-36-34(32(45)30(43)27(16-41)50-36)51-35-33(46)31(44)29(42)26(15-40)49-35/h18-36,40-46H,5-17H2,1-4H3/t18-,19-,20-,21-,22-,23+,24+,25-,26+,27+,28-,29-,30-,31-,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1
SMILES C1[C@@H](C[C@H]2[C@](C1)([C@@H]1[C@@H](CC2)[C@]2([C@H](CC1)[C@H]1[C@H](C2)O[C@]2([C@H]1C)OC[C@H](CC2)C)C)C)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)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsparagaceaeAsparagus officinalis Ref.
PlantaeAsparagaceaeAsparagus oligoclonos Ref.
PlantaeAsparagaceaeAsparagus racemosus Ref.
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