input word = C00006038

Metabolite InformationStructural formula
Name Myricetin 3-(2''-galloylgalactoside)
Formula C28H24O17
Mw 632.10134934
CAS RN 143222-13-3
C_ID C00006038 ,
InChIKey QYLKPOARSREGIU-GPXAZJOMNA-N
InChICode InChI=1S/C28H24O17/c29-7-17-21(38)23(40)26(44-27(41)9-3-14(34)20(37)15(35)4-9)28(43-17)45-25-22(39)18-11(31)5-10(30)6-16(18)42-24(25)8-1-12(32)19(36)13(33)2-8/h1-6,17,21,23,26,28-38,40H,7H2/t17-,21+,23-,26-,28+/m1/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)OC(=O)c1cc(c(c(c1)O)O)O)c1cc(c(c(c1)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyricaceaeMyrica esculenta Ref.
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