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isorhamnetin 3-O-beta-D-glucopyranoside

PropertiesImage
MNX_IDMNXM527533 Image of MNXM527533
referencechebi:75750
formulaC22H22O12
global charge0
mol weight478.406
InChIKeyCQLRUIIRRZYHHS-LFXZADKFSA-N
InChIInChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1
SMILESCOC1=C(O)C=CC(C2=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C3=C(C=C(O)C=C3O)O2)=C1
MNX internals
InChI (mnx)InChI=1/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1 Image of MNXM527533
SMILES (mnx)[CH3:1][O:31][C:12]1=[C:10]([OH:25])[CH:3]=[CH:2][C:8]([C:20]2=[C:21]([O:34][C@H:22]3[C@H:19]([OH:30])[C@@H:18]([OH:29])[C@H:16]([OH:27])[C@@H:14]([CH2:7][OH:23])[O:33]3)[C:17](=[O:28])[C:15]3=[C:11]([OH:26])[CH:5]=[C:9]([OH:24])[CH:6]=[C:13]3[O:32]2)=[CH:4]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:75750
chebi:75750
CQLRUIIRRZYHHS-LFXZADKFSA-N 		isorhamnetin 3-O-beta-D-glucopyranoside
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl beta-D-glucopyranoside

sabiork.compound:29908
sabiorkM:29908
CQLRUIIRRZYHHS-LFXZADKFSA-N 		Isorhamnetin 3-O-glucoside

kegg.compound:C22589
keggC:C22589
CQLRUIIRRZYHHS-LFXZADKFSA-N 		Isorhamnetin 3-O-glucoside
Isorhamnetin-3-O-beta-D-glucoside
hmdb:HMDB0302682
CQLRUIIRRZYHHS-LFXZADKFSA-N 		Isorhamnetin 3-beta-D-glucoside
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
Isorhamnetin 3-O-beta-D-glucopyranoside
Isorhamnetin 3-O-glucoside
Isorhamnetin 3-b-D-glucoside
Isorhamnetin 3-glucoside
Isorhamnetin-3-glu
Isorhamnetin-3-oglucoside

lipidmaps:LMPK12110576
lipidmapsM:LMPK12110576
CQLRUIIRRZYHHS-LFXZADKFSA-N 		Isorhamnetin 3-glucoside

metacyc.compound:CPD-14969
metacycM:CPD-14969
seed.compound:cpd31618
seedM:cpd31618
CQLRUIIRRZYHHS-LFXZADKFSA-M
CQLRUIIRRZYHHS-LFXZADKFSA-N 		isorhamnetin 3-O-glucoside
isorhamnetin 3-glucoside

keggC:M_C22589
seedM:M_cpd31618 		secondary/obsolete/fantasy identifier