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orientin

PropertiesImage
MNX_IDMNXM741608 Image of MNXM741608
referencechebi:7781
formulaC21H20O11
global charge0
mol weight448.38
InChIKeyPLAPMLGJVGLZOV-VPRICQMDSA-N
InChIInChI=1S/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-26,28-30H,6H2/t14-,17-,18+,19-,21+/m1/s1
SMILESO=C1C=C(C2=CC(O)=C(O)C=C2)OC2=C([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(O)=CC(O)=C12
MNX internals
InChI (mnx)InChI=1/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-26,28-30H,6H2/t14-,17-,18+,19-,21+/m1/s1 Image of MNXM741608
SMILES (mnx)[CH:1]1=[CH:2][C:8]([OH:23])=[C:9]([OH:24])[CH:3]=[C:7]1[C:13]1=[CH:5][C:12](=[O:27])[C:15]2=[C:20]([C:16]([C@H:21]3[C@H:19]([OH:30])[C@@H:18]([OH:29])[C@H:17]([OH:28])[C@@H:14]([CH2:6][OH:22])[O:32]3)=[C:11]([OH:26])[CH:4]=[C:10]2[OH:25])[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:7781
chebi:7781
PLAPMLGJVGLZOV-VPRICQMDSA-N 		orientin
2-(3,4-dihydroxyphenyl)-8-beta-D-glucopyranosyl-5,7-dihydroxy-4H-chromen-4-one
8-beta-D-glucosylluteolin
Luteolin 8-C-glucoside
Lutexin
Orientin

seed.compound:cpd07003
seedM:cpd07003
PLAPMLGJVGLZOV-VPRICQMDSA-M 		Orientin
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
8C-hexosyl luteolin
Luteolin 8-C-glucoside
homoorientin
isoorientin
luteolin 6-C-glucoside
luteolin 8-C-glucoside
lutexin
orientin

lipidmaps:LMPK12110470
lipidmapsM:LMPK12110470
PLAPMLGJVGLZOV-VPRICQMDSA-N 		Orientin
8-beta-D-Glucopyranosyl-3',4',5,7-tetrahydroxyflavone
Luteolin 8-C-beta-D-glucopyranoside

kegg.compound:C10114
keggC:C10114
PLAPMLGJVGLZOV-VPRICQMDSA-N 		Orientin
Luteolin 8-C-glucoside

metacyc.compound:CPD-15083
metacycM:CPD-15083
PLAPMLGJVGLZOV-VPRICQMDSA-M 		orientin
8C-hexosyl luteolin
luteolin 8-C-glucoside
lutexin

keggC:M_C10114
seedM:M_cpd07003 		secondary/obsolete/fantasy identifier