input word = C00006309

Metabolite InformationStructural formula
Name Isovitexin 7-O-xyloside-2''-O-rhamnoside
Formula C32H38O18
Mw 710.20581441
CAS RN 102506-63-8
C_ID C00006309 ,
InChIKey HUOGAKLQMJJITJ-JRDYGLQLNA-N
InChICode InChI=1S/C32H38O18/c1-10-21(37)25(41)28(44)32(46-10)50-30-26(42)23(39)18(8-33)48-29(30)20-17(49-31-27(43)22(38)14(36)9-45-31)7-16-19(24(20)40)13(35)6-15(47-16)11-2-4-12(34)5-3-11/h2-7,10,14,18,21-23,25-34,36-44H,8-9H2,1H3/t10-,14-,18+,21+,22-,23-,25+,26+,27-,28-,29+,30-,31-,32+/m1/s1
SMILES c1(c(c(c2c(c1)oc(cc2=O)c1ccc(cc1)O)O)[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)O)O)O)O[C@@H]1[C@@H]([C@@H]([C@@H](CO1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeMelandrium album Ref.
PlantaeCaryophyllaceaeSilene dioica Ref.
zoom in