input word = C00014040

Metabolite InformationStructural formula
Name Isovitexin 6''-O-glucoside
Formula C27H30O15
Mw 594.15847029
CAS RN 191615-66-4
C_ID C00014040 ,
InChIKey QBRPMUNMCISYMM-ALWFZJRANA-N
InChICode InChI=1S/C27H30O15/c28-7-15-19(32)23(36)25(38)27(42-15)39-8-16-20(33)22(35)24(37)26(41-16)18-12(31)6-14-17(21(18)34)11(30)5-13(40-14)9-1-3-10(29)4-2-9/h1-6,15-16,19-20,22-29,31-38H,7-8H2/t15-,16-,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1
SMILES O=c1cc(-c2ccc(O)cc2)oc2cc(O)c([C@@H]3OC(CO[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)[C@@H](O)[C@H](O)C3O)c(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeAlliaria petiolata Ref.
PlantaeGentianaceaeGentiana arisanensis Ref.
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