input word = C00033970

Metabolite InformationStructural formula
Name Ixerin Q
(-)-Ixerin Q
Formula C35H44O13
Mw 672.27819149
CAS RN 101153-62-2
C_ID C00033970 ,
InChIKey UADGOOWLIBGZGY-SBJRGKHKNA-N
InChICode InChI=1S/C35H44O13/c1-6-15(2)28(39)34(43)44-23-11-16(3)21-13-22(17(4)26(21)32-27(23)18(5)33(42)48-32)45-35-30(41)29(40)31(24(14-36)46-35)47-25(38)12-19-7-9-20(37)10-8-19/h7-10,15,21-24,26-32,35-37,39-41H,3-6,11-14H2,1-2H3/t15-,21-,22-,23+,24+,26-,27+,28+,29-,30+,31+,32+,35+/m0/s1
SMILES C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](OC(=O)Cc5ccc(O)cc5)[C@H](O)[C@H]4O)C[C@H]3C(=C)C[C@@H](OC(=O)C(O)C(C)CC)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeIxeris stolonifera A.Gray Ref.
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