input word = C00006172

Metabolite InformationStructural formula
Name Kachimoside
Cachimoside
Vitexin 6''-O-xyloside
Formula C26H28O14
Mw 564.14790561
CAS RN 11054-09-4
C_ID C00006172 ,
InChIKey DLIIIVWLAGTXTQ-UUDLOJBPNA-N
InChICode InChI=1S/C26H28O14/c27-10-3-1-9(2-4-10)15-6-13(30)17-11(28)5-12(29)18(24(17)39-15)25-22(35)21(34)20(33)16(40-25)8-38-26-23(36)19(32)14(31)7-37-26/h1-6,14,16,19-23,25-29,31-36H,7-8H2/t14-,16+,19-,20-,21+,22-,23-,25+,26+/m1/s1
SMILES O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3O[C@@H](CO[C@@H]4OC[C@@H](O)[C@H](O)C4O)[C@@H](O)C(O)C3O)c(O)cc(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeGypsophila paniculata Ref.
zoom in