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apiin

MNXM5582 is deprecated and here replaced by MNXM738198
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM738198

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₂₆H₂₈O₁₄

charge

mass

564.14791

reference

chebi:15932

InChIKey

NTDLXWMIWOECHG-YRCFQSNFSA-N

InChI

InChI=1S/C26H28O14/c27-8-18-20(32)21(33)22(40-25-23(34)26(35,9-28)10-36-25)24(39-18)37-13-5-14(30)19-15(31)7-16(38-17(19)6-13)11-1-3-12(29)4-2-11/h1-7,18,20-25,27-30,32-35H,8-10H2/t18-,20-,21+,22-,23+,24-,25+,26-/m1/s1

SMILES

O=c1cc(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@](O)(CO)[C@H]3O)cc(O)c12

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:15932 chebi:15932	apiin 5,7,4'-trihydroxyflavone 7-O-[beta-D-apiosyl-(1->2)-beta-D-glucoside] 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]-beta-D-glucopyranoside 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 3-C-(hydroxymethyl)-beta-D-glycero-tetrofuranosyl-(1->2)-beta-D-glucopyranoside 7-((2-O-beta-D-Apiofuranosyl-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyranone 7-O-(beta-D-Apiofuranosyl-1,2-beta-D-glucosyl)-5,7,4'-trihydroxyflavone 7-[(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one Apiin Apioside apigenin 7-O-[beta-D-apiosyl-(1->2)-beta-D-glucoside]
kegg.compound:C04858 keggC:C04858	Apigenin 7-O-[beta-D-apiosyl-(1->2)-beta-D-glucoside] 7-O-(beta-D-Apiofuranosyl-1,2-beta-D-glucosyl)-5,7,4'-trihydroxyflavone 7-[(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one Apiin Apioside
seed.compound:cpd02952 seedM:cpd02952	Apiin 7-O-(beta-D-Apiofuranosyl-1,2-beta-D-glucosyl)-5,7,4'- trihydroxyflavone 7-O-(beta-D-Apiofuranosyl-1,2-beta-D-glucosyl)-5,7,4'-trihydroxyflavone 7-O-(beta-D-apiofuranosyl-(1-2)-beta-D-glucosyl)-5,7,4'-trihydroxyflavone 7-O-(beta-D-apiofuranosyl-(1-2)-beta-D-glucosyl)-apigenin 7-[(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy]-5- hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one 7-[(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one 7-[(2-O-D-apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one Apigenin 7-O-[beta-D-apiosyl-(1->2)-beta-D-glucoside] Apioside apigenin 7-O-[beta-D-apiosyl-(1->2)-beta-D-glucoside] apiin apioside
metacyc.compound:7-O-BETA-D-APIOFURANOSYL-12-BETA-D-GLU metacycM:7-O-BETA-D-APIOFURANOSYL-12-BETA-D-GLU	apigenin 7-O-[beta-D-apiosyl-(1->2)-beta-D-glucoside] 7-O-(beta-D-apiofuranosyl-(1-2)-beta-D-glucosyl)-5,7,4'-trihydroxyflavone 7-O-(beta-D-apiofuranosyl-(1-2)-beta-D-glucosyl)-apigenin 7-[(2-O-D-apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one apiin apioside
chebi:12250 chebi:20775 chebi:2278 keggC:M_C04858 seedM:M_cpd02952	secondary/obsolete/fantasy identifier