Search MNXref
 Feedback

isoorientin

MNXM4624 is deprecated and here replaced by MNXM736532
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM736532 Image of MNXM736532
referencechebi:58333
formulaC21H19O11
global charge-1
mol weight447.372
InChIKeyODBRNZZJSYPIDI-VJXVFPJBSA-M
InChIInChI=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
SMILESO=C1C=C(C2=CC(O)=C(O)C=C2)OC2=CC([O-])=C([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(O)=C12
MNX internals
InChI (mnx)InChI=1/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/t14-,17-,19+,20-,21+/m1/s1 Image of MNXM736532
SMILES (mnx)[CH:1]1=[CH:2][C:8]([OH:23])=[C:9]([OH:24])[CH:3]=[C:7]1[C:12]1=[CH:4][C:10](=[O:25])[C:15]2=[C:13]([CH:5]=[C:11]([OH:26])[C:16]([C@H:21]3[C@H:20]([OH:30])[C@@H:19]([OH:29])[C@H:17]([OH:27])[C@@H:14]([CH2:6][OH:22])[O:32]3)=[C:18]2[OH:28])[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:58333
chebi:58333
ODBRNZZJSYPIDI-VJXVFPJBSA-M 		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-)
hmdb:HMDB0301981
ODBRNZZJSYPIDI-VJXVFPJBSA-N 		Isoorientin 7-O-(6'''-O-(E)-feruloyl)glucoside
2-(3,4-Dihydroxyphenyl)-6-b-D-glucopyranosyl-5,7-dihydroxy-4H-1-benzopyran-4-one
2-(3,4-Dihydroxyphenyl)-6-beta-D-glucopyranosyl-5,7-dihydroxy-4H-1-benzopyran-4-one
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one
6-GLC-Luteolin
Homoorientin
Iso-orientin
Luteolin-6-C-b-D-glucoside
Luteolin-6-C-beta-D-glucoside
Luteolin-6-C-glucoside
isoorientin

seed.compound:cpd01254
seedM:cpd01254
ODBRNZZJSYPIDI-VJXVFPJBSA-M 		Isoorientin
6C-hexosyl-flavone
C-hexosyl-luteolin
Homoorientin

lipidmaps:LMPK12110469
lipidmapsM:LMPK12110469
ODBRNZZJSYPIDI-VJXVFPJBSA-N 		Isoorientin
Homoorientin
Lespecapitioside
Lutonaretin

kegg.compound:C01821
keggC:C01821
ODBRNZZJSYPIDI-VJXVFPJBSA-N 		Isoorientin
Homoorientin
Luteolin-6-C-glucoside

CHEBI:17965
chebi:17965
ODBRNZZJSYPIDI-VJXVFPJBSA-N 		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
ODBRNZZJSYPIDI-VJXVFPJBSA-M 		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