Search MNXref
 Feedback

7-O-(6-sinapoylglucosyl)isovitexin

PropertiesImage
MNX_IDMNXM118315 Image of MNXM118315
referencechebi:75413
formulaC38H40O19
global charge0
mol weight800.719
InChIKeyAGLOWEFNIHNCIZ-MTNBZWSSSA-N
InChIInChI=1S/C38H40O19/c1-51-22-9-15(10-23(52-2)29(22)43)3-8-26(42)53-14-25-31(45)34(48)36(50)38(57-25)56-21-12-20-27(18(41)11-19(54-20)16-4-6-17(40)7-5-16)32(46)28(21)37-35(49)33(47)30(44)24(13-39)55-37/h3-12,24-25,30-31,33-40,43-50H,13-14H2,1-2H3/b8-3+/t24-,25-,30-,31-,33+,34+,35-,36-,37+,38?/m1/s1
SMILESCOC1=CC(/C=C/C(=O)OC[C@H]2OC(OC3=CC4=C(C(=O)C=C(C5=CC=C(O)C=C5)O4)C(O)=C3[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)=CC(OC)=C1O
MNX internals
InChI (mnx)InChI=1/C38H40O19/c1-51-22-9-15(10-23(52-2)29(22)43)3-8-26(42)53-14-25-31(45)34(48)36(50)38(57-25)56-21-12-20-27(18(41)11-19(54-20)16-4-6-17(40)7-5-16)32(46)28(21)37-35(49)33(47)30(44)24(13-39)55-37/h3-12,24-25,30-31,33-40,43-50H,13-14H2,1-2H3/b8-3+/t24-,25-,30-,31-,33+,34+,35-,36-,37+,38?/m1/s1 Image of MNXM118315
SMILES (mnx)[CH3:1][O:51][C:22]1=[C:29]([OH:43])[C:23]([O:52][CH3:2])=[CH:10][C:15](/[CH:3]=[CH:8]/[C:26](=[O:42])[O:53][CH2:14][C@@H:25]2[C@@H:31]([OH:45])[C@H:34]([OH:48])[C@@H:36]([OH:50])[CH:38]([O:56][C:21]3=[CH:12][C:20]4=[C:27]([C:18](=[O:41])[CH:11]=[C:19]([C:16]5=[CH:5][CH:7]=[C:17]([OH:40])[CH:6]=[CH:4]5)[O:54]4)[C:32]([OH:46])=[C:28]3[C@H:37]3[C@H:35]([OH:49])[C@@H:33]([OH:47])[C@H:30]([OH:44])[C@@H:24]([CH2:13][OH:39])[O:55]3)[O:57]2)=[CH:9]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:75413
chebi:75413
AGLOWEFNIHNCIZ-MTNBZWSSSA-N 		7-O-(6-sinapoylglucosyl)isovitexin
(1S)-1,5-anhydro-1-[5-hydroxy-7-({6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-D-glucopyranosyl}oxy)-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-D-glucitol
hmdb:HMDB0035005
AGLOWEFNIHNCIZ-FPYGCLRLSA-N 		6'''-O-Sinapoylsaponarin
(3,4,5-Trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-7-yl]oxy}oxan-2-yl)methyl (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid
(3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-7-yl]oxy}oxan-2-yl)methyl (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
(3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-7-yl]oxy}oxan-2-yl)methyl (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

CHEBI:172828
chebi:172828
AGLOWEFNIHNCIZ-FPYGCLRLSA-N 		6'''-O-Sinapoylsaponarin
[3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-7-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

hmdb:HMDB35005 		secondary/obsolete/fantasy identifier