input word = C00013971

Metabolite InformationStructural formula
Name Myricetin 3-(2''-galloylglucoside)
5,7-Dihydroxy-3-[[2-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranosyl]oxy]-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one
Formula C28H24O17
Mw 632.10134934
CAS RN 334475-75-1
C_ID C00013971 ,
InChIKey QYLKPOARSREGIU-XEPJELSONA-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-/m0/s1
SMILES c1c(cc(c(c1O)O)O)c1oc2c(c(=O)c1O[C@H]1[C@H](OC(=O)c3cc(c(c(c3)O)O)O)[C@H]([C@@H]([C@@H](O1)CO)O)O)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGeraniaceaeGeranium pratense Ref.
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