input word = C00005717

Metabolite InformationStructural formula
Name Limocitrin 7-glucoside
Formula C23H24O13
Mw 508.12169086
CAS RN 119628-58-9
C_ID C00005717 ,
InChIKey IIHWDFKYBUWTNF-YFVDCQSMNA-N
InChICode InChI=1S/C23H24O13/c1-32-11-5-8(3-4-9(11)25)20-18(30)16(28)14-10(26)6-12(21(33-2)22(14)36-20)34-23-19(31)17(29)15(27)13(7-24)35-23/h3-6,13,15,17,19,23-27,29-31H,7H2,1-2H3/t13-,15-,17+,19+,23-/m1/s1
SMILES COc1cc(-c2oc3c(OC)c(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)cc(O)c3c(=O)c2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCrassulaceaeSedum acre Ref.
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