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quercetin 3-O-beta-D-glucofuranoside

PropertiesImage
MNX_IDMNXM731495 Image of MNXM731495
referencechebi:28299
formulaC21H20O12
global charge0
mol weight464.379
InChIKeyOPJZLUXFQFQYAI-GNPVFZCLSA-N
InChIInChI=1S/C21H20O12/c22-6-12(27)19-16(29)17(30)21(32-19)33-20-15(28)14-11(26)4-8(23)5-13(14)31-18(20)7-1-2-9(24)10(25)3-7/h1-5,12,16-17,19,21-27,29-30H,6H2/t12-,16-,17-,19-,21+/m1/s1
SMILESO=C1C(O[C@@H]2O[C@H]([C@H](O)CO)[C@H](O)[C@H]2O)=C(C2=CC(O)=C(O)C=C2)OC2=C1C(O)=CC(O)=C2
MNX internals
InChI (mnx)InChI=1/C21H20O12/c22-6-12(27)19-16(29)17(30)21(32-19)33-20-15(28)14-11(26)4-8(23)5-13(14)31-18(20)7-1-2-9(24)10(25)3-7/h1-5,12,16-17,19,21-27,29-30H,6H2/t12-,16-,17-,19-,21+/m1/s1 Image of MNXM731495
SMILES (mnx)[CH:1]1=[CH:2][C:9]([OH:24])=[C:10]([OH:25])[CH:3]=[C:7]1[C:18]1=[C:20]([O:33][C@H:21]2[C@H:17]([OH:30])[C@@H:16]([OH:29])[C@@H:19]([C@@H:12]([CH2:6][OH:22])[OH:27])[O:32]2)[C:15](=[O:28])[C:14]2=[C:11]([OH:26])[CH:4]=[C:8]([OH:23])[CH:5]=[C:13]2[O:31]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:28299
chebi:28299
OPJZLUXFQFQYAI-GNPVFZCLSA-N 		quercetin 3-O-beta-D-glucofuranoside
2-(3,4-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl beta-D-glucofuranoside
3,3',4',5,7-Pentahydroxyflavone 3-beta-D-glucofuranoside
Isoquercitrin
Isoquercitroside
Isotrifoliin
Quercetin 3-O-glucoside

vmhM:itfln
vmhmetabolite:itfln
OPJZLUXFQFQYAI-GNPVFZCLSA-N 		Isotrifoliin

seed.compound:cpd03340
seedM:cpd03340
OPJZLUXFQFQYAI-GNPVFZCLSA-L 		Isotrifoliin
2-(3,4-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy- 4H-1-benzopyran-4-one
2-(3,4-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one
Isoquercitrin
Quercetin 3-O-glucoside
quercetin 3'-O-glucoside

sabiork.compound:8016
sabiorkM:8016
OPJZLUXFQFQYAI-GNPVFZCLSA-N 		Quercetin 3-O-glucoside
2-(3,4-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy- 4H-1-benzopyran-4-one
2-(3,4-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one
Isoquercitrin
Isotrifoliin

chebi:26478
chebi:8702
seedM:M_cpd03340
vmhM:M_itfln 		secondary/obsolete/fantasy identifier