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 C1C=C([C@H]2[C@]([C@@H]1OC(=O)[C@H](O)Cc1ccc(cc1)O)(CC[C@H]([C@@H]2O)C(=C)C(=O)OC)C)CO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeIxeris repens A.Gray Ref.
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