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diffutin

PropertiesImage
MNX_IDMNXM50637 Image of MNXM50637
referencechebi:4536
formulaC23H28O10
global charge0
mol weight464.467
InChIKeyZNWIOJJMPZWSQO-YRDUZITASA-N
InChIInChI=1S/C23H28O10/c1-29-15-5-3-11(7-18(15)30-2)14-6-4-13-16(31-14)8-12(25)9-17(13)32-23-22(28)21(27)20(26)19(10-24)33-23/h3,5,7-9,14,19-28H,4,6,10H2,1-2H3/t14-,19+,20+,21-,22+,23+/m0/s1
SMILESCOC1=C(OC)C=C([C@@H]2CCC3=C(C=C(O)C=C3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O2)C=C1
MNX internals
InChI (mnx)InChI=1/C23H28O10/c1-29-15-5-3-11(7-18(15)30-2)14-6-4-13-16(31-14)8-12(25)9-17(13)32-23-22(28)21(27)20(26)19(10-24)33-23/h3,5,7-9,14,19-28H,4,6,10H2,1-2H3/t14-,19+,20+,21-,22+,23+/m0/s1 Image of MNXM50637
SMILES (mnx)[CH3:1][O:29][C:15]1=[C:18]([O:30][CH3:2])[CH:7]=[C:11]([C@@H:14]2[CH2:6][CH2:4][C:13]3=[C:16]([CH:8]=[C:12]([OH:25])[CH:9]=[C:17]3[O:32][C@H:23]3[C@H:22]([OH:28])[C@@H:21]([OH:27])[C@H:20]([OH:26])[C@@H:19]([CH2:10][OH:24])[O:33]3)[O:31]2)[CH:3]=[CH:5]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:4536
chebi:4536
ZNWIOJJMPZWSQO-YRDUZITASA-N 		diffutin
(2S)-2-(3,4-dimethoxyphenyl)-7-hydroxy-3,4-dihydro-2H-1-benzopyran-5-yl beta-D-glucopyranoside

seed.compound:cpd06530
seedM:cpd06530
kegg.compound:C09636
keggC:C09636
ZNWIOJJMPZWSQO-YRDUZITASA-N 		Diffutin

lipidmaps:LMPK12020267
lipidmapsM:LMPK12020267
ZNWIOJJMPZWSQO-YRDUZITASA-N 		Diffutin
[(S)-2-(3,4-Dimethoxyphenyl)-3,4-dihydro-7-hydroxy-2H-1-benzopyran-5-yl] beta-D-glucopyranoside

keggC:M_C09636
seedM:M_cpd06530 		secondary/obsolete/fantasy identifier