input word = C00033981

Metabolite InformationStructural formula
Name Ixerisoside F
Formula C31H42O13
Mw 622.26254143
CAS RN 132282-43-0
C_ID C00033981 ,
InChIKey XFACIJUJGNMSOZ-REGHRHTPNA-N
InChICode InChI=1S/C31H42O13/c1-15(28(39)41-3)19-10-11-31(2)22(44-29(40)20(34)12-16-4-7-18(33)8-5-16)9-6-17(23(31)24(19)35)14-42-30-27(38)26(37)25(36)21(13-32)43-30/h4-8,19-27,30,32-38H,1,9-14H2,2-3H3/t19-,20+,21+,22+,23+,24-,25+,26-,27+,30+,31-/m0/s1
SMILES C=C(C(=O)OC)[C@@H]1CC[C@]2(C)[C@H](C(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC[C@H]2OC(=O)C(O)Cc2ccc(O)cc2)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeIxeris repens A.Gray Ref.
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