input word = C00003496

Metabolite InformationStructural formula
Name Abrusoside A
Formula C36H54O10
Mw 646.37169795
CAS RN 124962-06-7
C_ID C00003496 ,
InChIKey CJHYXUPCGHKJOO-FXHFXXNQNA-N
InChICode InChI=1S/C36H54O10/c1-18-6-7-21(44-29(18)41)19(2)20-10-12-33(4)23-8-9-24-34(5,31(42)43)25(46-30-28(40)27(39)26(38)22(16-37)45-30)11-13-35(24)17-36(23,35)15-14-32(20,33)3/h6,19-28,30,37-40H,7-17H2,1-5H3,(H,42,43)/t19-,20-,21-,22+,23-,24-,25-,26+,27-,28+,30+,32+,33-,34-,35+,36-/m0/s1
SMILES C1[C@@H]([C@@]([C@H]2[C@]3(C1)[C@]1([C@@H](CC2)[C@]2([C@](CC1)([C@@H](CC2)[C@@H]([C@@H]1CC=C(C(=O)O1)C)C)C)C)C3)(C)C(=O)O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAbrus fruticulosus Ref.
PlantaeFabaceaeAbrus precatorius Ref.
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