input word = C00034517

Metabolite InformationStructural formula
Name Foeniculoside XI
(+)-Foeniculoside XI
Formula C54H52O19
Mw 1004.31027948
CAS RN 946617-65-8
C_ID C00034517 ,
InChIKey VKKUIYOSAFMZQL-MTZGJONVNA-N
InChICode InChI=1S/C54H52O19/c55-22-39-45(62)47(64)49(66)53(72-39)68-34-17-28(15-32(60)18-34)42-43-36(19-33(61)20-37(43)70-51(42)25-5-11-30(58)12-6-25)44-41-27(4-1-24-2-9-29(57)10-3-24)16-35(69-54-50(67)48(65)46(63)40(23-56)73-54)21-38(41)71-52(44)26-7-13-31(59)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](Oc2cc(O)cc([C@@H]3c4c(cc(O)cc4[C@H]4c5c(/C=Cc6ccc(O)cc6)cc(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)cc5O[C@@H]4c4ccc(O)cc4)O[C@H]3c3ccc(O)cc3)c2)[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