input word = C00033986

Metabolite InformationStructural formula
Name Ixerisoside K
Formula C31H44O14
Mw 640.27310612
CAS RN 132282-50-9
C_ID C00033986 ,
InChIKey HQGIZPPLRDFZMV-MZACWTJDNA-N
InChICode InChI=1S/C31H44O14/c1-15(27(39)42-3)18-8-10-30(2)21(45-28(40)19(34)12-16-4-6-17(33)7-5-16)9-11-31(41,26(30)22(18)35)14-43-29-25(38)24(37)23(36)20(13-32)44-29/h4-7,18-26,29,32-38,41H,1,8-14H2,2-3H3/t18-,19-,20-,21-,22+,23-,24+,25-,26-,29-,30+,31+/m1/s1
SMILES C=C(C(=O)OC)C1CC[C@@]2(C)[C@H](OC(=O)C(O)Cc3ccc(O)cc3)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.
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