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isovitexin 2''-O-arabinoside

MNXM11927 is deprecated and here replaced by MNXM727230
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM727230 Image of MNXM727230
referencechebi:75435
formulaC26H28O14
global charge0
mol weight564.496
InChIKeyACRIYYKEWCXQOS-XAYOXWHSSA-N
InChIInChI=1S/C26H28O14/c27-7-16-20(33)22(35)25(40-26-23(36)19(32)13(31)8-37-26)24(39-16)18-12(30)6-15-17(21(18)34)11(29)5-14(38-15)9-1-3-10(28)4-2-9/h1-6,13,16,19-20,22-28,30-36H,7-8H2/t13-,16+,19-,20+,22-,23+,24-,25+,26-/m0/s1
SMILESO=C1C=C(C2=CC=C(O)C=C2)OC2=CC(O)=C([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)C(O)=C12
MNX internals
InChI (mnx)InChI=1/C26H28O14/c27-7-16-20(33)22(35)25(40-26-23(36)19(32)13(31)8-37-26)24(39-16)18-12(30)6-15-17(21(18)34)11(29)5-14(38-15)9-1-3-10(28)4-2-9/h1-6,13,16,19-20,22-28,30-36H,7-8H2/t13-,16+,19-,20+,22-,23+,24-,25+,26-/m0/s1 Image of MNXM727230
SMILES (mnx)[CH:1]1=[CH:3][C:10]([OH:28])=[CH:4][CH:2]=[C:9]1[C:14]1=[CH:5][C:11](=[O:29])[C:17]2=[C:15]([CH:6]=[C:12]([OH:30])[C:18]([C@H:24]3[C@H:25]([O:40][C@H:26]4[C@H:23]([OH:36])[C@@H:19]([OH:32])[C@@H:13]([OH:31])[CH2:8][O:37]4)[C@@H:22]([OH:35])[C@H:20]([OH:33])[C@@H:16]([CH2:7][OH:27])[O:39]3)=[C:21]2[OH:34])[O:38]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:75435
chebi:75435
ACRIYYKEWCXQOS-XAYOXWHSSA-N 		isovitexin 2''-O-arabinoside
(1S)-1,5-anhydro-2-O-alpha-L-arabinopyranosyl-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-D-glucitol

seed.compound:cpd16279
seedM:cpd16279
kegg.compound:C16491
keggC:C16491
ACRIYYKEWCXQOS-XAYOXWHSSA-M
ACRIYYKEWCXQOS-XAYOXWHSSA-N 		Isovitexin 2''-O-arabinoside

keggC:M_C16491
seedM:M_cpd16279 		secondary/obsolete/fantasy identifier