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Quercetagitrin

MNXM80125 is deprecated and here replaced by MNXM1370756
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1370756 Image of MNXM1370756
referencechebi:191744
formulaC21H20O13
global charge0
mol weight480.378
InChIKeyIDTDRZPBDLMCLB-HSOQPIRZSA-N
InChIInChI=1S/C21H20O13/c22-5-11-14(26)17(29)19(31)21(34-11)33-10-4-9-12(15(27)13(10)25)16(28)18(30)20(32-9)6-1-2-7(23)8(24)3-6/h1-4,11,14,17,19,21-27,29-31H,5H2/t11-,14-,17+,19-,21-/m1/s1
SMILESO=C1C(O)=C(C2=CC(O)=C(O)C=C2)OC2=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C(O)C(O)=C12
MNX internals
InChI (mnx)InChI=1/C21H20O13/c22-5-11-14(26)17(29)19(31)21(34-11)33-10-4-9-12(15(27)13(10)25)16(28)18(30)20(32-9)6-1-2-7(23)8(24)3-6/h1-4,11,14,17,19,21-27,29-31H,5H2/t11-,14-,17+,19-,21-/m1/s1 Image of MNXM1370756
SMILES (mnx)[CH:1]1=[CH:2][C:7]([OH:23])=[C:8]([OH:24])[CH:3]=[C:6]1[C:20]1=[C:18]([OH:30])[C:16](=[O:28])[C:12]2=[C:15]([OH:27])[C:13]([OH:25])=[C:10]([O:33][C@H:21]3[C@H:19]([OH:31])[C@@H:17]([OH:29])[C@H:14]([OH:26])[C@@H:11]([CH2:5][OH:22])[O:34]3)[CH:4]=[C:9]2[O:32]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:191744
chebi:191744
IDTDRZPBDLMCLB-HSOQPIRZSA-N 		Quercetagitrin
2-(3,4-dihydroxyphenyl)-3,5,6-trihydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Quercetagetin-7-O-glucoside

lipidmaps:LMPK12112906
lipidmapsM:LMPK12112906
IDTDRZPBDLMCLB-HSOQPIRZSA-N 		Quercetagetin 7-glucoside

metacyc.compound:CPD-14908
metacycM:CPD-14908
seed.compound:cpd33723
seedM:cpd33723
IDTDRZPBDLMCLB-HSOQPIRZSA-M 		quercetagetin 7-O-glucoside
quercetagritin

seedM:M_cpd33723 		secondary/obsolete/fantasy identifier