input word = C00006293

Metabolite InformationStructural formula
Name Vitexin 2''-O-rhamnoside-4'''-acetate
Formula C29H32O15
Mw 620.17412036
CAS RN 80537-98-0
C_ID C00006293 ,
InChIKey RJQUXMJLUPJNPG-HEXPBUSMNA-N
InChICode InChI=1S/C29H32O15/c1-10-25(41-11(2)31)23(38)24(39)29(40-10)44-28-22(37)21(36)18(9-30)43-27(28)20-15(34)7-14(33)19-16(35)8-17(42-26(19)20)12-3-5-13(32)6-4-12/h3-8,10,18,21-25,27-30,32-34,36-39H,9H2,1-2H3/t10-,18-,21+,22-,23+,24-,25-,27-,28+,29-/m0/s1
SMILES c1(cc(c2c(c1[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)C)OC(=O)C)O)O)oc(cc2=O)c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeTripterospermum japonicum Ref.
PlantaeRosaceaeCrataegus monogyna Ref.
PlantaeRosaceaeCrataegus sinaica Ref.
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