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=C1C(=O)O[C@@H]2[C@H]3C(C)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C[C@H]3C(=C)C[C@@H](OC(=O)C(O)C(C)C)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeIxeris stolonifera A.Gray Ref.
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