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myricetin 3-O-beta-D-glucoside

Properties

Image

Occurences in reactions

MNX_ID

MNXM62791

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

formula

C₂₁H₁₉O₁₃

charge

-1

mass

479.08311

reference

chebi:144444

InChIKey

FOHXFLPXBUAOJM-LIBJPBHASA-M

InChI

InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/p-1/t12-,15-,17+,18-,21+/m1/s1

SMILES

O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2cc(O)c(O)c(O)c2)oc2cc([O-])cc(O)c12

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:144444 chebi:144444	myricetin 3-O-beta-D-glucoside 3-(beta-D-glucopyranosyloxy)-5-hydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-7-olate myricetin 3-O-beta-D-glucopyranoside(1-)
CHEBI:75813 chebi:75813	myricetin 3-O-beta-D-glucopyranoside 5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl beta-D-glucopyranoside
metacyc.compound:CPD-14843 metacycM:CPD-14843 seed.compound:cpd34451 seedM:cpd34451	myricetin 3-O-beta-D-glucoside
seedM:M_cpd34451	secondary/obsolete/fantasy identifier