input word = C00006036

Metabolite InformationStructural formula
Name Limocitrin 7-(6''-acetylglucoside)
Formula C25H26O14
Mw 550.13225554
CAS RN 97744-93-9
C_ID C00006036 ,
InChIKey HKJIEFCRBAQGKS-IUJBFUEUNA-N
InChICode InChI=1S/C25H26O14/c1-9(26)36-8-15-17(29)19(31)21(33)25(38-15)37-14-7-12(28)16-18(30)20(32)22(39-24(16)23(14)35-3)10-4-5-11(27)13(6-10)34-2/h4-7,15,17,19,21,25,27-29,31-33H,8H2,1-3H3/t15-,17+,19-,21+,25+/m0/s1
SMILES COc1cc(-c2oc3c(OC)c(O[C@@H]4OC(COC(C)=O)[C@@H](O)[C@H](O)C4O)cc(O)c3c(=O)c2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeHaplophyllum perforatum Ref.
zoom in