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Cichoriin

MNXM46735 is deprecated and here replaced by MNXM736624
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM736624 Image of MNXM736624
referencechebi:3693
formulaC15H16O9
global charge0
mol weight340.284
InChIKeyWNBCMONIPIJTSB-TVKJYDDYSA-N
InChIInChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-4-8-6(3-7(9)17)1-2-11(18)22-8/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1
SMILESO=C1C=CC2=CC(O)=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C2O1
MNX internals
InChI (mnx)InChI=1/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-4-8-6(3-7(9)17)1-2-11(18)22-8/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1 Image of MNXM736624
SMILES (mnx)[CH:1]1=[CH:2][C:11](=[O:18])[O:22][C:8]2=[CH:4][C:9]([O:23][C@H:15]3[C@H:14]([OH:21])[C@@H:13]([OH:20])[C@H:12]([OH:19])[C@@H:10]([CH2:5][OH:16])[O:24]3)=[C:7]([OH:17])[CH:3]=[C:6]12
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:3693
chebi:3693
kegg.compound:C09206
keggC:C09206
WNBCMONIPIJTSB-TVKJYDDYSA-N 		Cichoriin

seed.compound:cpd06101
seedM:cpd06101
WNBCMONIPIJTSB-TVKJYDDYSA-N 		Cichoriin
7-(beta-D-Glucopyranosyloxy)-6-hydroxy-2H-1-benzopyran-2-one
Cichorioside
cichoriin

metacyc.compound:CPD-14429
metacycM:CPD-14429
WNBCMONIPIJTSB-TVKJYDDYSA-N 		cichoriin
7-(beta-D-Glucopyranosyloxy)-6-hydroxy-2H-1-benzopyran-2-one
Cichorioside

keggC:M_C09206
seedM:M_cpd06101 		secondary/obsolete/fantasy identifier