input word = C00014035

Metabolite InformationStructural formula
Name Isovitexin 7-O-xyloside 2''-O-arabinoside
Formula C31H36O18
Mw 696.19016435
CAS RN
C_ID C00014035 ,
InChIKey HCYGJWWAIIJCRR-OXFYPBGCNA-N
InChICode InChI=1S/C31H36O18/c32-7-18-23(39)25(41)29(49-31-27(43)22(38)14(36)9-45-31)28(47-18)20-17(48-30-26(42)21(37)13(35)8-44-30)6-16-19(24(20)40)12(34)5-15(46-16)10-1-3-11(33)4-2-10/h1-6,13-14,18,21-23,25-33,35-43H,7-9H2/t13-,14-,18-,21-,22+,23+,25-,26-,27+,28-,29+,30-,31+/m0/s1
SMILES c1(oc2c(c(=O)c1)c(c(c(c2)O[C@H]1[C@H]([C@H]([C@H](CO1)O)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](CO1)O)O)O)O)c1ccc(cc1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeMelandrium album Ref.
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