input word = C00033989

Metabolite InformationStructural formula
Name Ixerisoside N
Formula C27H42O12
Mw 558.26762681
CAS RN 132282-53-2
C_ID C00033989 ,
InChIKey QVAZATUUVHRGFL-CIJNWIKMNA-N
InChICode InChI=1S/C27H42O12/c1-12(2)19(29)25(35)39-17-7-6-14(11-37-26-23(33)22(32)21(31)16(10-28)38-26)18-20(30)15(8-9-27(17,18)4)13(3)24(34)36-5/h11-12,15-23,26,28-33H,3,6-10H2,1-2,4-5H3/b14-11+/t15-,16+,17+,18+,19+,20-,21+,22-,23+,26+,27-/m0/s1
SMILES C1C/C(=C\O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)/[C@H]2[C@]([C@@H]1OC(=O)[C@@H](C(C)C)O)(CC[C@H]([C@@H]2O)C(=C)C(=O)OC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeIxeris repens A.Gray Ref.
zoom in