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isoorientin

MNXM4624 is deprecated and here replaced by MNXM736532
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM736532

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	0

formula

C₂₁H₁₉O₁₁

charge

-1

mass

447.09329

reference

chebi:58333

InChIKey

ODBRNZZJSYPIDI-VJXVFPJBSA-M

InChI

InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/p-1/t14-,17-,19+,20-,21+/m1/s1

SMILES

O=c1cc(-c2ccc(O)c(O)c2)oc2cc([O-])c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58333 chebi:58333	isoorientin (1S)-1,5-anhydro-1-[2-(3,4-dihydroxyphenyl)-5-hydroxy-7-oxido-4-oxo-4H-chromen-6-yl]-D-glucitol isoorientin 7-olate isoorientin anion isoorientin(1-)
seed.compound:cpd01254 seedM:cpd01254	Isoorientin 6C-hexosyl-flavone C-hexosyl-luteolin Homoorientin
kegg.compound:C01821 keggC:C01821	Isoorientin Homoorientin
CHEBI:17965 chebi:17965	isoorientin (1S)-1,5-anhydro-1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]-D-glucitol 2-(3,4-dihydroxyphenyl)-6-beta-D-glucopyranosyl-5,7-dihydroxy-4H-1-benzopyran-4-one Homoorientin Isoorientin Luteolin-6-C-beta-D-glucoside
metacyc.compound:ISOORIENTIN metacycM:ISOORIENTIN	isoorientin 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one 6C-hexosyl luteolin homoorientin luteolin 6-C-glucoside
chebi:14471 chebi:24905 chebi:6034 keggC:M_C01821 seedM:M_cpd01254	secondary/obsolete/fantasy identifier