input word = C00010588

Metabolite InformationStructural formula
Name Kickxioside
Formula C25H36O12
Mw 528.22067662
CAS RN 110906-83-7
C_ID C00010588 ,
InChIKey PRWWZXHOHQRKDQ-DHONWDQVNA-N
InChICode InChI=1S/C25H36O12/c1-5-23(3,31)8-6-7-12(2)20(30)35-19-18-24(4,37-18)17-22(33-10-9-25(17,19)32)36-21-16(29)15(28)14(27)13(11-26)34-21/h5,7,9-10,13-19,21-22,26-29,31-32H,1,6,8,11H2,2-4H3/b12-7+/t13-,14+,15-,16-,17+,18-,19+,21-,22-,23+,24+,25+/m0/s1
SMILES C=C[C@@](C)(O)CC/C=C(C)C(=O)O[C@@H]1[C@@H]2O[C@]2(C)[C@H]2[C@H](O[C@@H]3OC(CO)[C@@H](O)C(O)[C@@H]3O)OC=C[C@@]12O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaeKickxia spuria Ref.
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