input word = C00005743

Metabolite InformationStructural formula
Name Myricetin 3,3'-digalactoside
Formula C27H30O18
Mw 642.14321416
CAS RN 28454-81-1
C_ID C00005743 ,
InChIKey FEWRYXXFMHQZRI-RAAVYVDBNA-N
InChICode InChI=1S/C27H30O18/c28-5-13-17(34)20(37)22(39)26(43-13)42-12-2-7(1-10(32)16(12)33)24-25(19(36)15-9(31)3-8(30)4-11(15)41-24)45-27-23(40)21(38)18(35)14(6-29)44-27/h1-4,13-14,17-18,20-23,26-35,37-40H,5-6H2/t13-,14-,17-,18-,20-,21+,22+,23+,26+,27-/m0/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)O)c1cc(c(c(c1)O[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
PlantaeMyrtaceaeMyrtus communis Ref.
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