input word = C00005745

Metabolite InformationStructural formula
Name Myricetin 3,4'-diglucoside
3-(beta-D-Glucopyranosyloxy)-2-[4-(beta-D-glucopyranosyloxy)-3,5-dihydroxyphenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one
Formula C27H30O18
Mw 642.14321416
CAS RN 146501-37-3
C_ID C00005745 ,
InChIKey LLVOJEYSNCNXJN-BIWKIXTRNA-N
InChICode InChI=1S/C27H30O18/c28-5-13-16(34)19(37)21(39)26(42-13)44-24-10(32)1-7(2-11(24)33)23-25(18(36)15-9(31)3-8(30)4-12(15)41-23)45-27-22(40)20(38)17(35)14(6-29)43-27/h1-4,13-14,16-17,19-22,26-35,37-40H,5-6H2/t13-,14+,16+,17+,19+,20-,21-,22+,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)O[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)CO)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePinaceaePicea abies Ref.
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OrganismPicea abies
ReferenceHarborne, The Handbook of Natural Flavonoids, 1, (1999), 297.Flavonol O-glycosides

Slimestad,Phytochem.,32,(1993),179