input word = C00033985

Metabolite InformationStructural formula
Name Ixerisoside J
Formula C27H44O13
Mw 576.27819149
CAS RN 132282-49-6
C_ID C00033985 ,
InChIKey IIVAJNCEGDSBTE-YFUKAIAVNA-N
InChICode InChI=1S/C27H44O13/c1-12(2)17(29)24(35)40-16-7-9-27(36,11-38-25-21(33)20(32)19(31)15(10-28)39-25)22-18(30)14(6-8-26(16,22)4)13(3)23(34)37-5/h12,14-22,25,28-33,36H,3,6-11H2,1-2,4-5H3/t14-,15-,16-,17+,18+,19-,20+,21-,22-,25-,26+,27-/m1/s1
SMILES C=C(C(=O)OC)C1CC[C@@]2(C)[C@H](OC(=O)C(O)C(C)C)CCC(O)(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeIxeris repens A.Gray Ref.
zoom in