input word = C00033972

Metabolite InformationStructural formula
Name Ixerin S
(+)-Ixerin S
Formula C26H36O11
Mw 524.22576199
CAS RN 101153-59-7
C_ID C00033972 ,
InChIKey ZWQFMPTUVWOYAB-UHLQAETNNA-N
InChICode InChI=1S/C26H36O11/c1-9(2)19(28)25(33)34-15-6-10(3)13-7-14(11(4)17(13)23-18(15)12(5)24(32)37-23)35-26-22(31)21(30)20(29)16(8-27)36-26/h9,13,15-23,26-31H,3,5-8H2,1-2,4H3/t13-,15+,16+,17-,18+,19+,20+,21-,22+,23+,26+/m0/s1
SMILES [C@H]12[C@@H]([C@@H](CC(=C)[C@H]3[C@@H]1C(=C(C3)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)OC(=O)[C@@H](C(C)C)O)C(=C)C(=O)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeIxeris stolonifera A.Gray Ref.
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