input word = C00006408

Metabolite InformationStructural formula
Name Vicenin-2,6''-O-glucoside
Formula C33H40O20
Mw 756.21129372
CAS RN 94530-40-2
C_ID C00006408 ,
InChIKey FPFNLDJEHQMVJM-QFQLVPGUNA-N
InChICode InChI=1S/C33H40O20/c34-6-13-19(38)24(43)28(47)32(51-13)18-23(42)17(22(41)16-11(37)5-12(50-30(16)18)9-1-3-10(36)4-2-9)31-27(46)25(44)21(40)15(52-31)8-49-33-29(48)26(45)20(39)14(7-35)53-33/h1-5,13-15,19-21,24-29,31-36,38-48H,6-8H2/t13-,14-,15+,19-,20-,21-,24+,25+,26+,27-,28-,29-,31+,32+,33-/m1/s1
SMILES c1(c(c(c2c(c1[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)oc(cc2=O)c1ccc(cc1)O)O)[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeStellaria holostea Ref.
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