input word = C00008386

Metabolite InformationStructural formula
Name Narirutin 4'-glucoside
Formula C33H42O19
Mw 742.23202916
CAS RN 17257-22-6
C_ID C00008386 ,
InChIKey KQUWJUNIYQVHCG-SXFMELFENA-N
InChICode InChI=1S/C33H42O19/c1-11-22(37)25(40)28(43)31(47-11)46-10-20-24(39)27(42)30(45)33(52-20)49-14-6-15(35)21-16(36)8-17(50-18(21)7-14)12-2-4-13(5-3-12)48-32-29(44)26(41)23(38)19(9-34)51-32/h2-7,11,17,19-20,22-35,37-45H,8-10H2,1H3/t11-,17-,19+,20+,22-,23+,24+,25-,26+,27-,28+,29-,30+,31+,32+,33+/m0/s1
SMILES CC1O[C@@H](OCC2O[C@@H](Oc3cc(O)c4c(c3)OC(c3ccc(O[C@@H]5OC(CO)[C@@H](O)C(O)C5O)cc3)CC4=O)C(O)[C@@H](O)[C@@H]2O)C(O)[C@@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus aurantium Ref.
PlantaeRutaceaeCitrus reticulata Ref.
PlantaeRutaceaeCitrus spp. Ref.
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OrganismCitrus aurantium
Referencehttps://doi.org/10.1016/j.foodchem.2010.06.076