Search MNXref
 Feedback

Apigenin 7-(6''-acetylglucoside)

PropertiesImage
MNX_IDMNXM42349 Image of MNXM42349
referencelipidmapsM:LMPK12110375
formulaC23H22O11
global charge0
mol weight474.418
InChIKeyLYFXRHUNCZZUTQ-DODNOZFWSA-N
InChIInChI=1S/C23H22O11/c1-10(24)31-9-18-20(28)21(29)22(30)23(34-18)32-13-6-14(26)19-15(27)8-16(33-17(19)7-13)11-2-4-12(25)5-3-11/h2-8,18,20-23,25-26,28-30H,9H2,1H3/t18-,20-,21+,22-,23-/m1/s1
SMILESCC(=O)OC[C@H]1O[C@@H](OC2=CC3=C(C(=O)C=C(C4=CC=C(O)C=C4)O3)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C23H22O11/c1-10(24)31-9-18-20(28)21(29)22(30)23(34-18)32-13-6-14(26)19-15(27)8-16(33-17(19)7-13)11-2-4-12(25)5-3-11/h2-8,18,20-23,25-26,28-30H,9H2,1H3/t18-,20-,21+,22-,23-/m1/s1 Image of MNXM42349
SMILES (mnx)[CH3:1][C:10](=[O:24])[O:31][CH2:9][C@@H:18]1[C@@H:20]([OH:28])[C@H:21]([OH:29])[C@@H:22]([OH:30])[C@H:23]([O:32][C:13]2=[CH:6][C:14]([OH:26])=[C:19]3[C:15](=[O:27])[CH:8]=[C:16]([C:11]4=[CH:3][CH:5]=[C:12]([OH:25])[CH:4]=[CH:2]4)[O:33][C:17]3=[CH:7]2)[O:34]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

lipidmaps:LMPK12110375
lipidmapsM:LMPK12110375
LYFXRHUNCZZUTQ-DODNOZFWSA-N 		Apigenin 7-(6''-acetylglucoside)
hmdb:HMDB0302734
LYFXRHUNCZZUTQ-DODNOZFWSA-N 		Apigenin 7-(6''-O-acetyl)-glucoside
[(2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl]methyl acetic acid
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl]methyl acetate
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}oxan-2-yl]methyl acetate
hmdb:HMDB0037342
LYFXRHUNCZZUTQ-UHFFFAOYSA-N 		Apigenin 7-O-(6''-O-acetylglucoside)
(3,4,5-Trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methyl acetic acid
(3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methyl acetate
(3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}oxan-2-yl)methyl acetate
Apigenin 7-(6''-acetylglucoside)

hmdb:HMDB37342 		secondary/obsolete/fantasy identifier