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Cichoriin

Properties

Image

Occurences in reactions

MNX_ID

MNXM736624

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

formula

C₁₅H₁₆O₉

charge

mass

340.284

reference

chebi:3693

InChIKey

WNBCMONIPIJTSB-TVKJYDDYSA-N

InChI

InChI=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

SMILES

[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

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:3693 chebi:3693 kegg.compound:C09206 keggC:C09206	Cichoriin
hmdb:HMDB0030821	Cichoriin 6-Hydroxyskimmin 6-hydroxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-chromen-2-one 6-hydroxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-one Cichorioside
seed.compound:cpd06101 seedM:cpd06101	Cichoriin 7-(beta-D-Glucopyranosyloxy)-6-hydroxy-2H-1-benzopyran-2-one Cichorioside cichoriin
metacyc.compound:CPD-14429 metacycM:CPD-14429	cichoriin 7-(beta-D-Glucopyranosyloxy)-6-hydroxy-2H-1-benzopyran-2-one Cichorioside
hmdb:HMDB30821 keggC:M_C09206 seedM:M_cpd06101	secondary/obsolete/fantasy identifier