input word = C00033971

Metabolite InformationStructural formula
Name Ixerin R
(-)-Ixerin R
Formula C35H44O13
Mw 672.27819149
CAS RN 101153-61-1
C_ID C00033971 ,
InChIKey KAQPATNEOPHOGD-JDWMTXDINA-N
InChICode InChI=1S/C35H44O13/c1-6-15(2)28(38)34(43)45-23-11-16(3)21-13-22(17(4)26(21)32-27(23)18(5)33(42)48-32)46-35-31(41)30(40)29(39)24(47-35)14-44-25(37)12-19-7-9-20(36)10-8-19/h7-10,15,21-24,26-32,35-36,38-41H,3-6,11-14H2,1-2H3/t15-,21+,22+,23-,24-,26+,27-,28-,29-,30+,31-,32-,35-/m1/s1
SMILES [C@H]12[C@@H]([C@@H](CC(=C)[C@H]3[C@@H]1C(=C)[C@H](C3)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)COC(=O)Cc1ccc(cc1)O)OC(=O)[C@@H]([C@@H](CC)C)O)C(=C)C(=O)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeIxeris debilis A. Gray Ref.
PlantaeAsteraceaeIxeris stolonifera A.Gray Ref.
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OrganismIxeris debilis A. Gray
ReferenceZidorn,Phytochem.,69,(2008),2270