input word = C00033987

Metabolite InformationStructural formula
Name Ixerisoside L
Formula C36H52O16
Mw 740.32553562
CAS RN 132282-51-0
C_ID C00033987 ,
InChIKey IXOSXWZLCNJRLS-KMJSQKLZNA-N
InChICode InChI=1S/C36H52O16/c1-17(2)25(39)33(46)50-22(14-19-6-8-20(38)9-7-19)32(45)52-24-11-13-36(47,16-49-34-29(43)28(42)27(41)23(15-37)51-34)30-26(40)21(10-12-35(24,30)4)18(3)31(44)48-5/h6-9,17,21-30,34,37-43,47H,3,10-16H2,1-2,4-5H3/t21-,22+,23+,24+,25-,26-,27+,28-,29+,30+,34+,35-,36+/m0/s1
SMILES C1C[C@]([C@H]2[C@]([C@@H]1OC(=O)[C@@H](Cc1ccc(cc1)O)OC(=O)[C@@H](O)C(C)C)(CC[C@H]([C@@H]2O)C(=C)C(=O)OC)C)(CO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeIxeris repens A.Gray Ref.
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