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apiin

MNXM5582 is deprecated and here replaced by MNXM1371936
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1371936 Image of MNXM1371936
referencechebi:15932
formulaC26H28O14
global charge0
mol weight564.496
InChIKeyNTDLXWMIWOECHG-YRCFQSNFSA-N
InChIInChI=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
SMILESO=C1C=C(C2=CC=C(O)C=C2)OC2=CC(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
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM1371936
SMILES (mnx)[CH:1]1=[CH:3][C:12]([OH:29])=[CH:4][CH:2]=[C:11]1[C:16]1=[CH:7][C:15](=[O:31])[C:19]2=[C:14]([OH:30])[CH:5]=[C:13]([O:37][C@H:24]3[C@H:22]([O:40][C@H:25]4[C@H:23]([OH:34])[C@:26]([CH2:9][OH:28])([OH:35])[CH2:10][O:36]4)[C@@H:21]([OH:33])[C@H:20]([OH:32])[C@@H:18]([CH2:8][OH:27])[O:39]3)[CH:6]=[C:17]2[O:38]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:15932
chebi:15932
NTDLXWMIWOECHG-YRCFQSNFSA-N 		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
NTDLXWMIWOECHG-YRCFQSNFSA-N 		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
Apigenin-7-apioglucoside
Apiin
Apioside

vmhM:M00051
vmhmetabolite:M00051
NTDLXWMIWOECHG-YRCFQSNFSA-N 		Apigenin 7-O-[beta-D-apiosyl-(1->2)-beta-D-glucoside]
7-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one

lipidmaps:LMPK12110337
lipidmapsM:LMPK12110337
NTDLXWMIWOECHG-YRCFQSNFSA-N 		Apiin
Apigenin-7-apioglucoside

chebi:12250
chebi:20775
chebi:2278
keggC:M_C04858
vmhM:M_M00051 		secondary/obsolete/fantasy identifier