input word = C00034516

Metabolite InformationStructural formula
Name Foeniculoside X
Formula C54H52O19
Mw 1004.31027948
CAS RN 946617-64-7
C_ID C00034516 ,
InChIKey FKKZAWUTFQGDKT-MTZGJONVNA-N
InChICode InChI=1S/C54H52O19/c55-22-39-45(62)47(64)49(66)53(72-39)68-23-40-46(63)48(65)50(67)54(73-40)69-35-17-28(16-32(59)18-35)42-43-36(19-34(61)21-38(43)71-51(42)25-5-11-30(57)12-6-25)44-41-27(4-1-24-2-9-29(56)10-3-24)15-33(60)20-37(41)70-52(44)26-7-13-31(58)14-8-26/h1-21,39-40,42,44-67H,22-23H2/b4-1-/t39-,40-,42+,44-,45-,46-,47+,48+,49-,50-,51+,52+,53-,54-/m1/s1
SMILES OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)cc([C@@H]4c5c(cc(O)cc5[C@H]5c6c(/C=Cc7ccc(O)cc7)cc(O)cc6O[C@@H]5c5ccc(O)cc5)O[C@H]4c4ccc(O)cc4)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeFoeniculum vulgare Ref.
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OrganismFoeniculum vulgare
ReferenceMarino,Phytochem.,68,(2007),1805